Receptor
PDB id Resolution Class Description Source Keywords
4ITU 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF S-2-HYDROXYPROPYL COENZYME M DEHYDROGEN HPCDH) BOUND TO S-HPC AND NADH XANTHOBACTER AUTOTROPHICUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF S-HPCDH REVEAL DETERMINANTS O STEREOSPECIFICITY FOR R- AND S-HYDROXYPROPYL-COENZY DEHYDROGENASES. ARCH.BIOCHEM.BIOPHYS. V. 533 62 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI A:301;
C:301;
D:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
1HS A:302;
D:302;
B:302;
C:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
200.276 C5 H12 O4 S2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ITU 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF S-2-HYDROXYPROPYL COENZYME M DEHYDROGEN HPCDH) BOUND TO S-HPC AND NADH XANTHOBACTER AUTOTROPHICUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF S-HPCDH REVEAL DETERMINANTS O STEREOSPECIFICITY FOR R- AND S-HYDROXYPROPYL-COENZY DEHYDROGENASES. ARCH.BIOCHEM.BIOPHYS. V. 533 62 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Ligand no: 2; Ligand: 1HS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1HS 1 1
2 KPC 0.421053 0.902439
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ITU; Ligand: NAI; Similar sites found: 402
This union binding pocket(no: 1) in the query (biounit: 4itu.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FA8 SAM 0.003154 0.42184 None
2 3P7G MAN 0.02941 0.4153 None
3 3B1F NAD 0.000304 0.40323 1.11524
4 4NEC SAH 0.0008551 0.47009 1.13636
5 2VDV SAM 0.0009594 0.47243 1.21951
6 5E8J SAH 0.0002972 0.49721 1.48699
7 5JJR SAH 0.00862 0.41533 1.48699
8 5GM1 SAH 0.006446 0.40867 1.48699
9 5T9E NAP 0.001013 0.40026 1.48699
10 1JG3 ADN 0.004707 0.42737 1.70213
11 4EUE NAI 0.00000137 0.51687 1.85874
12 1EZ4 NAD 0.00005356 0.48412 1.85874
13 5THY SAH 0.0008283 0.45382 1.85874
14 1G55 SAH 0.001684 0.44395 1.85874
15 4MDH NAD 0.0007084 0.43596 1.85874
16 5T9F TYR 0.0005729 0.43017 1.85874
17 5T9F NAP 0.000793 0.42373 1.85874
18 5MDH NAD 0.0005105 0.40985 1.85874
19 1U3U BNF 0.002862 0.40953 1.85874
20 3L9W AMP 0.001366 0.4055 1.85874
21 4K37 SAM 0.0204 0.40428 1.85874
22 3HDY FDA 0.009886 0.40224 1.85874
23 3HDY FAD 0.01112 0.4002 1.85874
24 1J5P NAD 0.0004202 0.41585 1.97628
25 4GLL NAD 0.00000001434 0.58746 2.23048
26 1I2B NAD 0.000000453 0.56754 2.23048
27 1I2B USQ 0.001421 0.46162 2.23048
28 1I2B UPG 0.001421 0.46162 2.23048
29 1GUZ NAD 0.0001321 0.43552 2.23048
30 3TLJ SAH 0.001568 0.4347 2.23048
31 5X62 SAH 0.004235 0.43313 2.23048
32 1HYH NAD 0.0006166 0.41828 2.23048
33 1Z82 NDP 0.002153 0.4169 2.23048
34 2VVM FAD 0.002323 0.41091 2.23048
35 3SSO SAH 0.002455 0.41002 2.23048
36 2VVL FAD 0.002951 0.40803 2.23048
37 1REO FAD 0.003204 0.40464 2.23048
38 2CVQ NDP 0.001128 0.40279 2.23048
39 4XUC 43G 0.00258 0.40246 2.29358
40 4XUC SAM 0.00258 0.40246 2.29358
41 3KU0 ADE 0.04186 0.4042 2.39044
42 2QBU SAH 0.0108 0.41082 2.58621
43 1RKX NAD 0.00000002404 0.5949 2.60223
44 2X6T NAP 0.0000004336 0.52496 2.60223
45 1EQ2 NAP 0.000001642 0.50512 2.60223
46 3GGO ENO 0.0004489 0.43879 2.60223
47 3GGO NAI 0.0004489 0.43879 2.60223
48 5UAV NDP 0.0007017 0.42569 2.60223
49 5UAV TFB 0.0007017 0.42569 2.60223
50 1HDG NAD 0.001872 0.42515 2.60223
51 4D4U FUC GAL NAG 0.02734 0.41789 2.60223
52 2G5C NAD 0.0005758 0.41732 2.60223
53 4MIG G3F 0.004487 0.40754 2.60223
54 4MP8 NAD 0.002801 0.40464 2.60223
55 4R5M NAP 0.00135 0.40152 2.60223
56 4OBW SAM 0.001577 0.4491 2.72374
57 3GDH SAH 0.001108 0.4377 2.90456
58 3MJE NDP 0.0000000001548 0.6456 2.97398
59 2FR1 NDP 0.0000000006876 0.63466 2.97398
60 1SB8 UD2 0.000000008257 0.63262 2.97398
61 1SB8 NAD 0.00000001112 0.62172 2.97398
62 5IN4 NAP 0.00001849 0.55542 2.97398
63 5IN4 6CK 0.0000181 0.55542 2.97398
64 5IN4 GDP 0.00002168 0.55114 2.97398
65 4PIV NDP 0.0000001888 0.54238 2.97398
66 2JJQ SAH 0.005096 0.43709 2.97398
67 3GXO SAH 0.01077 0.42122 2.97398
68 4RQU NAD 0.0003887 0.41972 2.97398
69 4RSL FAD 0.0003961 0.41907 2.97398
70 3CMC NAD 0.004728 0.41763 2.97398
71 3KLJ FAD 0.0009264 0.41742 2.97398
72 1H82 GZZ 0.004219 0.41694 2.97398
73 1D1T NAD 0.0008473 0.41619 2.97398
74 1H82 FAD 0.003933 0.41529 2.97398
75 3WLE NAD 0.001433 0.41425 2.97398
76 3GFB NAD 0.002671 0.41321 2.97398
77 1WP4 NDP 0.0006318 0.40864 2.97398
78 2DFV NAD 0.0008626 0.40526 2.97398
79 1N4W FAD 0.004132 0.40446 2.97398
80 3LXI CAM 0.04666 0.40382 2.97398
81 3IGO ANP 0.01133 0.40381 2.97398
82 1GR0 NAD 0.00273 0.40157 2.97398
83 1X7D ORN 0.00344 0.40134 2.97398
84 1X7D NAD 0.001344 0.40076 2.97398
85 4XBA 5GP 0.02776 0.40102 3
86 2EV9 SKM 0.001788 0.40948 3.04183
87 2EV9 NAP 0.001788 0.40443 3.04183
88 1Z45 NAD 0.00000001227 0.61164 3.34572
89 3KO8 NAD 0.000000003786 0.60797 3.34572
90 1V6A TRE 0.00008257 0.55418 3.34572
91 5MSO NAP 0.0000001717 0.526 3.34572
92 3ABI NAD 0.00002947 0.48266 3.34572
93 5JAQ NAI 0.00007378 0.46576 3.34572
94 1BW9 NAD 0.0004706 0.46064 3.34572
95 1C1X NAD 0.0004577 0.44673 3.34572
96 4GKV NAD 0.0001775 0.44495 3.34572
97 1ZMD NAI 0.001171 0.43347 3.34572
98 1MV8 NAD 0.0002325 0.42069 3.34572
99 5XVK SAH 0.003398 0.42047 3.34572
100 1E5Q NDP 0.0004518 0.41872 3.34572
101 1I8T FAD 0.00157 0.41621 3.34572
102 4DPL NAP 0.002471 0.40925 3.34572
103 1DLJ NAI 0.005082 0.40628 3.34572
104 1DLJ UGA 0.005082 0.40628 3.34572
105 1BXG NAD 0.0005259 0.40613 3.34572
106 2Q7V FAD 0.003491 0.40529 3.34572
107 4M73 SAH 0.002541 0.40507 3.34572
108 1MUU NAD 0.000631 0.40321 3.34572
109 4M73 M72 0.003388 0.40158 3.34572
110 4CJX NAP 0.007531 0.40042 3.34572
111 5LD5 NAD 0.002346 0.42729 3.35196
112 1TUU AMP 0.03696 0.40518 3.50877
113 5GWX SAM 0.002104 0.42014 3.52113
114 5GWX SAR 0.002104 0.42014 3.52113
115 3CIF NAD 0.000229 0.42873 3.62117
116 3CIF G3H 0.002497 0.40419 3.62117
117 3OU2 SAH 0.004994 0.40772 3.66972
118 4ZRN NAD 0.00000001219 0.5869 3.71747
119 1WVG APR 0.00000009414 0.52759 3.71747
120 2Q1S NAI 0.000002932 0.52369 3.71747
121 4ZRN UPG 0.0000001293 0.47438 3.71747
122 3G2O SAM 0.001532 0.44967 3.71747
123 2BH9 NAP 0.004258 0.43685 3.71747
124 2EXX NAP 0.0003334 0.43495 3.71747
125 2PT9 2MH 0.0009011 0.41917 3.71747
126 2B4R NAD 0.0006279 0.41876 3.71747
127 2I7C AAT 0.0008793 0.41825 3.71747
128 2DVZ GLU 0.02213 0.41305 3.71747
129 1X87 NAD 0.0002091 0.41108 3.71747
130 4DSG UDP 0.006304 0.40933 3.71747
131 4DSG FAD 0.007065 0.40871 3.71747
132 4L8V NAP 0.001213 0.40439 3.71747
133 2B4R AES 0.001689 0.40098 3.71747
134 2DKH FAD 0.002758 0.40017 3.71747
135 2DC1 NAD 0.000229 0.42444 3.81356
136 4DMG SAM 0.007735 0.43223 4.07125
137 1N7G NDP 0.000001593 0.5594 4.08922
138 1N7G GDR 0.00000181 0.54518 4.08922
139 1UWK URO 0.00009556 0.46867 4.08922
140 1UWK NAD 0.00009556 0.46867 4.08922
141 5HJM MTA 0.002213 0.43863 4.08922
142 4YCA NDP 0.001134 0.43091 4.08922
143 2CDU FAD 0.0005222 0.43042 4.08922
144 3B1J NAD 0.001243 0.42064 4.08922
145 1JQ3 AAT 0.00133 0.41171 4.08922
146 3I6I NDP 0.0006909 0.40464 4.08922
147 1YY5 FAD 0.004537 0.40384 4.08922
148 1RSG FAD 0.004318 0.40278 4.08922
149 3OFK SAH 0.004036 0.42037 4.16667
150 2YY7 NAD 0.000000009538 0.58872 4.46097
151 2C29 NAP 0.000003375 0.52137 4.46097
152 2C29 DQH 0.00001081 0.50224 4.46097
153 5L95 AMP 0.0001894 0.48647 4.46097
154 2HYV UAP SGN IDS SGN IDS 0.003812 0.46596 4.46097
155 5MW4 5JU 0.003464 0.4044 4.46097
156 5KOK SAH 0.004323 0.42559 4.78589
157 2PZM UDP 0.000001778 0.53191 4.83271
158 2PZM NAD 0.000001778 0.53191 4.83271
159 4PVD NDP 0.0000003506 0.51482 4.83271
160 1VKO NAD 0.000293 0.43851 4.83271
161 5FTW SAH 0.002389 0.4336 4.83271
162 4OOE NDP 0.001245 0.42928 4.83271
163 1YQZ FAD 0.006084 0.40925 4.83271
164 3A4T SFG 0.0003233 0.40325 4.83271
165 4D3F NAP 0.0002518 0.40314 4.83271
166 1EK6 UPG 0.0000003439 0.5734 5.17241
167 1EK6 NAI 0.00000004645 0.46912 5.17241
168 5LW0 AR6 0.008144 0.40164 5.19481
169 1R6D NAD 0.0000003436 0.57101 5.20446
170 1R6D DAU 0.0000009492 0.55265 5.20446
171 1Y1P NMN AMP PO4 0.000005099 0.53999 5.20446
172 4D79 ATP 0.0005619 0.46959 5.20446
173 1LDM NAD 0.0001244 0.45879 5.20446
174 3A27 SAM 0.001243 0.45383 5.20446
175 1CER NAD 0.0004169 0.44836 5.20446
176 4RDH AMP 0.002448 0.44832 5.20446
177 1U1I NAD 0.000318 0.4357 5.20446
178 3LZW FAD 0.001715 0.41367 5.20446
179 3LZW NAP 0.004922 0.41218 5.20446
180 5G3U ITW 0.003464 0.4083 5.20446
181 1H2B NAJ 0.001667 0.40814 5.20446
182 5G3U FDA 0.002889 0.40524 5.20446
183 4YMH SAH 0.002564 0.43224 5.41667
184 3NJ4 AFX 0.02088 0.40981 5.51724
185 3NJ4 NAD 0.02388 0.40729 5.51724
186 2HMT NAI 0.0000238 0.43537 5.55556
187 4TQG NDP 0.00000001247 0.57466 5.57621
188 2GZ3 NAP 0.0006307 0.44035 5.57621
189 3BAZ NAP 0.004339 0.41022 5.57621
190 1DL5 SAH 0.006131 0.40147 5.57621
191 2C5A NAD 0.00000004344 0.60597 5.94796
192 4U7W NDP 0.00000008852 0.58993 5.94796
193 1E7S NAP 0.0000005029 0.53307 5.94796
194 2C5A GDC 0.00000004344 0.47142 5.94796
195 5H81 NAP 0.0009882 0.44674 5.94796
196 1LVL NAD 0.002106 0.43601 5.94796
197 4BG4 ARG 0.02606 0.41869 5.94796
198 1DSS NAD 0.0004582 0.40859 5.94796
199 3M6W SAM 0.02319 0.4016 5.94796
200 5CAE COA 0.002349 0.42413 6.3197
201 3FPF MTA 0.00156 0.41631 6.3197
202 4J4H NAI 0.002757 0.41392 6.3197
203 4J4H 1J1 0.002757 0.41392 6.3197
204 5DX8 SFG 0.005849 0.41046 6.3197
205 5DXA SFG 0.006994 0.40717 6.3197
206 5BUK FAD 0.003953 0.40612 6.3197
207 4JK3 NAD 0.0008679 0.40239 6.3197
208 2VHW NAI 0.003058 0.40211 6.3197
209 4QTU SAM 0.0004285 0.47058 6.66667
210 1GY8 NAD 0.0000001104 0.55104 6.69145
211 1NYT NAP 0.0004641 0.44989 6.69145
212 1GV0 NAD 0.00008029 0.44627 6.69145
213 4AP3 NAP 0.00713 0.40721 6.69145
214 3AYI FAD 0.005949 0.40522 6.69145
215 3AYI HCI 0.006226 0.40522 6.69145
216 5JCA NDP 0.009516 0.4029 6.69145
217 2GSD NAD 0.003046 0.40101 6.69145
218 2NXE SAM 0.005074 0.42588 6.69291
219 3EGV SAH 0.01022 0.41523 6.69291
220 3HVJ 705 0.002115 0.40916 6.78733
221 1HDO NAP 0.000004234 0.50423 6.79612
222 3A4V NAD 0.000000005622 0.61352 7.0632
223 3A4V PYR 0.000000005622 0.58388 7.0632
224 2DT5 NAD 0.0002068 0.45366 7.109
225 3RFV NAI 0.00000002214 0.56152 7.11611
226 3RFV 15L 0.0000006915 0.50498 7.11611
227 5XVQ SAH 0.003748 0.41867 7.39437
228 1V35 NAI 0.0000003928 0.55373 7.43494
229 3ORF NAD 0.0000001372 0.54103 7.43494
230 1UXG NAD 0.00007648 0.46387 7.43494
231 5F8F SFG 0.002066 0.45183 7.43494
232 3VPH OXM 0.0002256 0.44252 7.43494
233 3VPH NAD 0.000212 0.44072 7.43494
234 3LST SAH 0.02087 0.40712 7.43494
235 1Y8Q ATP 0.0004443 0.4542 7.80669
236 1LDN NAD 0.0001124 0.44441 7.80669
237 3VYW SAM 0.007386 0.41202 7.80669
238 2FZW NAD 0.003092 0.40923 7.80669
239 4OPC PGT 0.02129 0.40646 7.80669
240 4OPC FDA 0.01826 0.40646 7.80669
241 3E1T FAD 0.003885 0.40547 7.80669
242 3G5S FAD 0.002774 0.4048 7.80669
243 1BXK NAD 0.00000003626 0.55577 8.17844
244 3JV7 NAD 0.001283 0.42012 8.17844
245 5L1O 7PF 0.0326 0.41472 8.17844
246 1E6E FAD 0.001818 0.41044 8.17844
247 2NVK FAD 0.002996 0.40779 8.17844
248 3H9E NAD 0.0007777 0.40539 8.17844
249 5MGZ SAH 0.004452 0.42501 8.47458
250 1R37 NAD 0.0008613 0.41989 8.55019
251 3OA2 NAD 0.001929 0.41603 8.55019
252 2PV7 NAD 0.0004187 0.41437 8.55019
253 1OC2 NAD 0.000001126 0.55325 8.62069
254 1OC2 TDX 0.000001126 0.43079 8.62069
255 1RPN NDP 0.0000005305 0.51724 8.65672
256 1C1L GAL BGC 0.03836 0.41082 8.75912
257 4I6H 1C8 0.01711 0.40472 9.29368
258 5FJN BE2 0.004775 0.4039 9.29368
259 5FJN FAD 0.004034 0.4039 9.29368
260 1UDB NAD 0.0000001295 0.58492 9.66543
261 5L53 NAP 0.0000000003481 0.58158 9.66543
262 2F1K NAP 0.000122 0.46977 9.66543
263 4RPL FAD 0.002363 0.42834 9.66543
264 5ULP KB1 0.002446 0.4234 9.66543
265 4RPL 3UC 0.003752 0.4223 9.66543
266 2BKA NDP 0.000001664 0.49839 9.91736
267 2Q46 NAP 0.0000002467 0.53097 10.0372
268 3V1Y NAD 0.0003457 0.41607 10.0372
269 2A92 NAI 0.0005132 0.4241 10.4089
270 2VYN NAD 0.001068 0.40511 10.4089
271 3LU1 NAD 0.0000000005201 0.66402 10.4396
272 5K7U SAM 0.005009 0.42613 10.6667
273 2Q1W NAD 0.0000007371 0.52636 10.7807
274 1T26 NAI 0.0001963 0.45345 10.7807
275 1E3I CXF 0.0009319 0.406 10.9043
276 5MPT SAH 0.00008034 0.50818 11.1524
277 5FA5 MTA 0.0002026 0.49988 11.1524
278 1SAY PYR 0.001641 0.40966 11.1524
279 1PS9 FAD 0.004644 0.40062 11.1524
280 5IL1 SAM 0.009082 0.41429 11.3208
281 1KEW TYD 0.0000006511 0.55652 11.5242
282 1KEW NAD 0.000001931 0.5395 11.5242
283 3DMH SAM 0.001176 0.44714 11.8959
284 1SOW NAD 0.0001239 0.44631 11.8959
285 1A5Z NAD 0.00003506 0.43147 11.8959
286 3DMH GMP 0.001954 0.41857 11.8959
287 3WGT FAD 0.00434 0.40724 11.8959
288 3WGT QSC 0.004625 0.40703 11.8959
289 4J36 1HR 0.0044 0.40342 11.8959
290 4J36 FAD 0.002462 0.40197 11.8959
291 5JE8 NAD 0.001048 0.43544 12.2677
292 1RYI FAD 0.004621 0.4007 12.2677
293 2PWY SAH 0.000413 0.40334 12.4031
294 2I3G NAP 0.001903 0.41099 12.5
295 4HXY NDP 0.00000000004453 0.67144 12.6394
296 3NYC FAD 0.0043 0.4099 12.6394
297 1HDR NAD 0.00001793 0.42 12.7049
298 1I0Z NAI 0.00007495 0.44751 13.3829
299 1JNR FAD 0.01158 0.40603 13.3829
300 9LDT NAD 0.0001016 0.44631 13.7546
301 9LDB NAD 0.0001079 0.44538 13.7546
302 1J0X NAD 0.001815 0.418 13.7546
303 1LTH NAD 0.00004891 0.43418 14.1264
304 4W6Z 8ID 0.001982 0.40906 14.1264
305 2Y69 CHD 0.01718 0.4244 14.433
306 5L4S 6KX 0.0000000001482 0.67396 14.4981
307 5L4S NAP 0.0000000001482 0.67396 14.4981
308 1LLU NAD 0.002782 0.40127 14.4981
309 1PZG A3D 0.0001806 0.42721 14.8699
310 3ZNN FAD 0.005163 0.41064 14.8699
311 3ZNN 4WL 0.005163 0.41064 14.8699
312 2HK9 NAP 0.001027 0.40147 14.8699
313 5KKA 6V0 0.0001583 0.44839 15.9851
314 1ORR NAD 0.00000001222 0.5949 16.3569
315 2Y6Q I7T 0.003412 0.41037 16.3569
316 2Y6Q FAD 0.001289 0.40912 16.3569
317 5JE0 AZ8 0.001708 0.41275 16.5992
318 5JE0 SAH 0.001708 0.41275 16.5992
319 3O26 NDP 0.000000000005397 0.69589 19.2926
320 1LSS NAD 0.0000177 0.43642 20
321 1N5D NDP 0.00000000004764 0.66968 20.0744
322 3G89 SAM 0.0007794 0.47683 20.4461
323 1FK8 NAD 0.0000000002901 0.70319 20.6226
324 1WMA AB3 0.0000000001964 0.68168 22.8261
325 1WMA NDP 0.0000000001964 0.57874 22.8261
326 3WXB NDP 0.00000000001771 0.7125 23.7918
327 3H4V DVP 0.000000006408 0.62267 24.1636
328 3H4V NAP 0.0000000208 0.60169 24.1636
329 3JQ7 NAP 0.000000004607 0.64056 25.6506
330 4J1Q NDP 0.00000000161 0.59936 26.3941
331 1NVM NAD 0.001852 0.41143 26.3941
332 2WD7 NAP 0.000000002584 0.598 26.4925
333 1W8D NAP 0.0000000001019 0.61283 27.1375
334 1W73 NAP 0.0000000001415 0.60886 27.1375
335 1W6U NAP 0.00000000005941 0.62077 27.881
336 4K26 NDP 0.000000001077 0.62274 29.7398
337 4K26 SFF 0.000000007348 0.61504 29.7398
338 3CH6 NAP 0.000000006944 0.64623 30.4833
339 3CH6 311 0.000000006944 0.64623 30.4833
340 1GZ6 NAI 0.00000000002304 0.70821 32.342
341 1XSE NDP 0.0000000004223 0.66333 33.0855
342 3RJ5 NAD 0.00000000003888 0.69774 33.4572
343 1OAA OAA 0.000000001013 0.65472 34.2007
344 2BD0 NAP 0.0000000000001679 0.76405 35.6877
345 1ZBQ NAD 0.000000000004078 0.71415 36.0595
346 4J7U YTZ 0.000000003132 0.6344 36.803
347 4J7U NAP 0.000000003132 0.6344 36.803
348 1Z6Z NAP 0.0000000007829 0.62189 37.1747
349 3V1U NAD 0.0000000000002813 0.70058 40.5204
350 1XKQ NDP 0.000000000006834 0.71318 40.8922
351 1PR9 NAP 0.0000000000003822 0.75872 41.2639
352 3D3W NAP 0.0000000000006768 0.7497 41.2639
353 2GDZ NAD 0.000000000000003442 0.8047 41.6357
354 1AE1 NAP 0.000000000006092 0.71499 42.3792
355 4FC7 NAP 0.0000000001319 0.68628 42.7509
356 4FC7 COA 0.0000000001319 0.68628 42.7509
357 1A27 NAP 0.0000000001005 0.65128 42.7509
358 3HB5 NAP 0.000000000294 0.54512 42.7509
359 3RKR NAP 0.000005117 0.41673 42.7509
360 1U7T TDT 0.000000000001615 0.75616 43.1227
361 1U7T NAD 0.0000000000008121 0.70754 43.1227
362 3ZV6 4HB 0.000000000009583 0.72924 43.4944
363 3ZV6 NAD 0.000000000008403 0.72924 43.4944
364 3VZS NAP 0.0000000001909 0.68403 43.4944
365 3VZS CAA 0.0000000009678 0.47334 43.4944
366 1O5I NAD 0.0000008423 0.47033 43.4944
367 2DKN NAI 0.0000000000003819 0.72813 43.8662
368 4CLO NAP 0.0000000008222 0.67008 43.8662
369 4CME NAP 0.000000001081 0.65853 43.8662
370 3BMQ NAP 0.00000000112 0.65131 43.8662
371 4CM8 NAP 0.000000001793 0.65001 43.8662
372 4CM4 NAP 0.000000001895 0.64908 43.8662
373 3JQF NAP 0.000000001288 0.649 43.8662
374 3JQA NAP 0.00000000364 0.6446 43.8662
375 4CMI NAP 0.000000003142 0.64056 43.8662
376 3JQG NAP 0.000000004994 0.63918 43.8662
377 4CM9 NAP 0.0000000009114 0.61888 43.8662
378 3JQ8 NAP 0.000000001186 0.61516 43.8662
379 3BMN NAP 0.000000001642 0.6102 43.8662
380 3JQ9 NAP 0.000000002805 0.60248 43.8662
381 3BMO NAP 0.000000002153 0.60067 43.8662
382 4CLR NAP 0.000000002231 0.60002 43.8662
383 3JQB NAP 0.000000006157 0.57865 43.8662
384 4NBT NAD 0.00000000000002165 0.76819 44.2379
385 1XHL NDP 0.000000000002038 0.72572 44.2379
386 3ICC NAP 0.00000000001498 0.69402 44.2379
387 1G0N PHH 0.0000000000002069 0.7897 44.6097
388 1G0N NDP 0.0000000000001606 0.78632 44.6097
389 1UZN NAP 0.0000000164 0.48728 44.6097
390 1E3W NAD 0.00000000000007971 0.80957 44.9814
391 1E6W NAD 0.00000000000009004 0.80754 44.9814
392 2ZAT NAP 0.0000000000463 0.66424 44.9814
393 1H5Q NAP 0.0000000000008136 0.73121 45.3532
394 4QED NAP 0.000000000008911 0.68725 45.3532
395 2B4Q NAP 0.000000000006085 0.69519 45.7249
396 1VL8 NAP 0.000000000000289 0.76314 46.8401
397 3QWI CUE 0.000000000003562 0.74325 47.2119
398 3QWI NAP 0.0000000000006305 0.74325 47.2119
399 1Q7B NAP 0.0000000004287 0.66722 47.5836
400 2RH4 EMO 0.00000000002236 0.59336 47.5836
401 1GEG NAD 0.000000000000003442 0.86166 48.3271
402 1GEE NAD 0.000000000004571 0.74247 49.8141
Pocket No.: 2; Query (leader) PDB : 4ITU; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4itu.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ITU; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4itu.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ITU; Ligand: 1HS; Similar sites found: 296
This union binding pocket(no: 4) in the query (biounit: 4itu.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.02245 0.44526 None
2 5FA8 SAM 0.005306 0.42184 None
3 3P7G MAN 0.04148 0.4153 None
4 3HO6 IHP 0.04577 0.40853 1.1236
5 4NEC SAH 0.001794 0.46497 1.13636
6 2VDV SAM 0.001561 0.47243 1.21951
7 5E8J SAH 0.0005348 0.49572 1.48699
8 5JJR SAH 0.01355 0.41533 1.48699
9 5GM1 SAH 0.0106 0.40867 1.48699
10 1JG3 ADN 0.007538 0.42737 1.70213
11 1EZ4 NAD 0.0001027 0.48467 1.85874
12 4EUE NAI 0.000002522 0.46533 1.85874
13 5THY SAH 0.001425 0.45382 1.85874
14 1G55 SAH 0.002807 0.44395 1.85874
15 4MDH NAD 0.001252 0.43663 1.85874
16 1O68 KIV 0.03724 0.41733 1.85874
17 4K37 SAM 0.03478 0.40156 1.85874
18 1I2B NAD 0.000000603 0.52763 2.23048
19 4GLL NAD 0.00000003914 0.51467 2.23048
20 4CCN OGA 0.01416 0.44336 2.23048
21 3TLJ SAH 0.002697 0.4347 2.23048
22 5X62 SAH 0.00674 0.43313 2.23048
23 5W3Y ACO 0.01917 0.43244 2.23048
24 1I2B UPG 0.003407 0.42724 2.23048
25 1I2B USQ 0.003407 0.42724 2.23048
26 1Z82 NDP 0.003357 0.41914 2.23048
27 1RM0 NAI 0.0005368 0.40667 2.23048
28 5CAD PCA 0.04177 0.40655 2.23048
29 2QBU SAH 0.01687 0.41082 2.58621
30 1RKX NAD 0.00000002893 0.60858 2.60223
31 2X6T NAP 0.000001046 0.46432 2.60223
32 1EQ2 NAP 0.000001307 0.46145 2.60223
33 3B6R CRN 0.02072 0.427 2.60223
34 1HDG NAD 0.003263 0.42515 2.60223
35 4XNV BUR 0.02372 0.4225 2.60223
36 3GGO NAI 0.0009889 0.40475 2.60223
37 3GGO ENO 0.0009889 0.40475 2.60223
38 5UAV TFB 0.0005076 0.40175 2.60223
39 4OBW SAM 0.002608 0.4491 2.72374
40 3GDH SAH 0.001946 0.4377 2.90456
41 1SB8 UD2 0.00000001176 0.58384 2.97398
42 1SB8 NAD 0.00000002309 0.56806 2.97398
43 2FR1 NDP 0.0000000006735 0.56574 2.97398
44 3MJE NDP 0.00000000049 0.56007 2.97398
45 5IN4 6CK 0.0000397 0.51351 2.97398
46 5IN4 NAP 0.00004061 0.51351 2.97398
47 5IN4 GDP 0.00004407 0.51092 2.97398
48 4PIV NDP 0.0000004752 0.48256 2.97398
49 2JJQ SAH 0.007918 0.43709 2.97398
50 1D1T NAD 0.001222 0.43137 2.97398
51 3GXO SAH 0.01637 0.42122 2.97398
52 4RSL FAD 0.001041 0.41878 2.97398
53 3GFB NAD 0.00446 0.41409 2.97398
54 4XBA 5GP 0.04096 0.40102 3
55 2EV9 SKM 0.001299 0.42502 3.04183
56 1S14 NOV 0.04204 0.41438 3.09278
57 1Z45 NAD 0.00000003209 0.61235 3.34572
58 1V6A TRE 0.000135 0.55418 3.34572
59 3KO8 NAD 0.00000001117 0.52877 3.34572
60 3ABI NAD 0.00006073 0.48288 3.34572
61 1BW9 NAD 0.0005118 0.47002 3.34572
62 5MSO NAP 0.0000004095 0.46668 3.34572
63 1C1X NAD 0.000738 0.44914 3.34572
64 5JAQ NAI 0.00007662 0.43823 3.34572
65 1ZMD NAI 0.001913 0.43494 3.34572
66 5XVK SAH 0.005704 0.42047 3.34572
67 4DPL NAP 0.004427 0.40925 3.34572
68 1HKU NAD 0.003978 0.4087 3.34572
69 4CJX NAP 0.009075 0.40636 3.34572
70 4GKV NAD 0.0003674 0.40218 3.34572
71 5LD5 NAD 0.003984 0.42729 3.35196
72 5GWX SAR 0.003064 0.42348 3.52113
73 5GWX SAM 0.003064 0.42348 3.52113
74 3OU2 SAH 0.008491 0.40758 3.66972
75 4ZRN NAD 0.00000003784 0.58858 3.71747
76 4ZRN UPG 0.0000002943 0.49528 3.71747
77 2Q1S NAI 0.00001233 0.47097 3.71747
78 1WVG APR 0.0000002255 0.46547 3.71747
79 3G2O SAM 0.002536 0.44967 3.71747
80 2BH9 NAP 0.006714 0.43685 3.71747
81 2DVZ GLU 0.03032 0.41454 3.71747
82 4DMG SAM 0.01176 0.43223 4.07125
83 1N7G GDR 0.000001254 0.5178 4.08922
84 1N7G NDP 0.00001496 0.4915 4.08922
85 5HJM MTA 0.003659 0.43863 4.08922
86 4YCA NDP 0.00207 0.43056 4.08922
87 3B1J NAD 0.002155 0.42163 4.08922
88 3I6I NDP 0.0006699 0.42094 4.08922
89 1UWK NAD 0.0004695 0.42039 4.08922
90 1UWK URO 0.0004695 0.42039 4.08922
91 4TXE 38F 0.016 0.41828 4.08922
92 1JQ3 AAT 0.002419 0.41229 4.08922
93 3OFK SAH 0.006676 0.42037 4.16667
94 2YY7 NAD 0.00000002622 0.51553 4.46097
95 2C29 NAP 0.000001146 0.50534 4.46097
96 2C29 DQH 0.000003368 0.48974 4.46097
97 5L95 AMP 0.0003367 0.48647 4.46097
98 2HYV UAP SGN IDS SGN IDS 0.005679 0.46596 4.46097
99 3PA8 IHP 0.04899 0.40691 4.72441
100 5KOK SAH 0.007005 0.42559 4.78589
101 2PZM NAD 0.000006472 0.48029 4.83271
102 2PZM UDP 0.000006472 0.48029 4.83271
103 4PVD NDP 0.0000008166 0.45746 4.83271
104 1VKO NAD 0.0005279 0.44 4.83271
105 5FTW SAH 0.00398 0.4336 4.83271
106 4OOE NDP 0.002221 0.42928 4.83271
107 4V15 PLP 0.03658 0.40677 5.01319
108 1EK6 UPG 0.0000003439 0.53723 5.17241
109 1EK6 NAI 0.00000004344 0.50264 5.17241
110 5LW0 AR6 0.01318 0.40195 5.19481
111 1Y1P NMN AMP PO4 0.00001048 0.53999 5.20446
112 1R6D DAU 0.0000007871 0.52127 5.20446
113 1R6D NAD 0.0000008778 0.52084 5.20446
114 4D79 ATP 0.0009577 0.46959 5.20446
115 1LDM NAD 0.0002302 0.46002 5.20446
116 3A27 SAM 0.00207 0.45383 5.20446
117 1CER NAD 0.0007709 0.44836 5.20446
118 4RDH AMP 0.003921 0.44832 5.20446
119 2X1L ADN 0.03794 0.41299 5.20446
120 2ZSH GA3 0.01472 0.40777 5.20446
121 5DN9 NAD 0.004966 0.40049 5.20446
122 4YMH SAH 0.004262 0.43224 5.41667
123 5M06 ADP 0.02572 0.4113 5.43478
124 4TQG NDP 0.00000003343 0.50464 5.57621
125 2GZ3 NAP 0.0007823 0.41583 5.57621
126 3BAZ NAP 0.007356 0.41022 5.57621
127 1DL5 SAH 0.007655 0.40694 5.57621
128 4U7W NDP 0.0000002189 0.58993 5.94796
129 2C5A NAD 0.00000004634 0.56476 5.94796
130 2C5A GDC 0.00000004634 0.50209 5.94796
131 1E7S NAP 0.0000004156 0.4864 5.94796
132 5H81 NAP 0.00175 0.44627 5.94796
133 1LVL NAD 0.003659 0.43525 5.94796
134 4BG4 ARG 0.03655 0.41869 5.94796
135 3M6W SAM 0.03471 0.4016 5.94796
136 5CAE COA 0.002482 0.43317 6.3197
137 5DX8 SFG 0.009646 0.41046 6.3197
138 5DXA SFG 0.01147 0.40717 6.3197
139 3FPF TNA 0.001755 0.40418 6.3197
140 4QTU SAM 0.000744 0.47058 6.66667
141 1GY8 NAD 0.0000002702 0.48581 6.69145
142 1NYT NAP 0.001161 0.4441 6.69145
143 5FI3 NAP 0.004451 0.40916 6.69145
144 1GV0 NAD 0.0001562 0.40204 6.69145
145 2NXE SAM 0.008108 0.42588 6.69291
146 3EGV SAH 0.01584 0.41523 6.69291
147 1HDO NAP 0.000002841 0.47074 6.79612
148 3A4V PYR 0.000000007091 0.60523 7.0632
149 3A4V NAD 0.000000007091 0.55489 7.0632
150 2DT5 NAD 0.0003265 0.45718 7.109
151 3RFV NAI 0.00000001915 0.50787 7.11611
152 3RFV 15L 0.0000001284 0.47803 7.11611
153 5XVQ SAH 0.00627 0.41867 7.39437
154 1V35 NAI 0.0000005643 0.5115 7.43494
155 3ORF NAD 0.0000003392 0.481 7.43494
156 5F8F SFG 0.003325 0.45183 7.43494
157 1UXG NAD 0.0002202 0.41914 7.43494
158 3LST SAH 0.0294 0.40836 7.43494
159 3VPH OXM 0.0003016 0.40732 7.43494
160 3VPH NAD 0.0002862 0.40347 7.43494
161 1Y8Q ATP 0.0008557 0.45302 7.80669
162 3VYW SAM 0.01188 0.41202 7.80669
163 1LDN NAD 0.0002141 0.40089 7.80669
164 1BXK NAD 0.00000009377 0.48787 8.17844
165 4XQC NAD 0.0002259 0.42468 8.17844
166 3JV7 NAD 0.002042 0.42255 8.17844
167 4XQC 13D 0.0003548 0.41537 8.17844
168 5MGZ SAH 0.007207 0.42501 8.47458
169 3OA2 NAD 0.003354 0.41655 8.55019
170 1OC2 NAD 0.0000009417 0.5221 8.62069
171 1OC2 TDX 0.0000009417 0.45974 8.62069
172 1RPN NDP 0.000001946 0.51724 8.65672
173 5GZ6 7C3 0.01554 0.40137 8.92193
174 2VGD XYP XYP 0.0287 0.41829 9.17431
175 5EE7 5MV 0.04966 0.40854 9.29368
176 4I6H 1C8 0.02538 0.4053 9.29368
177 1UDB NAD 0.0000001568 0.54398 9.66543
178 5L53 NAP 0.0000000009453 0.50651 9.66543
179 2F1K NAP 0.0002348 0.46977 9.66543
180 5ULP KB1 0.004187 0.4234 9.66543
181 2BKA NDP 0.000004093 0.44358 9.91736
182 2Q46 NAP 0.0000005981 0.47114 10.0372
183 1TB4 PEJ 0.005059 0.40696 10.4089
184 3LU1 NAD 0.000000001579 0.66402 10.4396
185 5K7U SAM 0.008007 0.42613 10.6667
186 2Q1W NAD 0.000001713 0.46758 10.7807
187 1T26 NAI 0.0006141 0.41337 10.7807
188 1E3I CXF 0.001201 0.41654 10.9043
189 5MPT SAH 0.0001448 0.50818 11.1524
190 5FA5 MTA 0.0003478 0.49988 11.1524
191 5IL1 SAM 0.01425 0.41429 11.3208
192 1KEW TYD 0.00000068 0.52097 11.5242
193 1KEW NAD 0.000001518 0.51031 11.5242
194 3DMH SAM 0.001884 0.44832 11.8959
195 3DMH GMP 0.003374 0.41904 11.8959
196 1SOW NAD 0.0002054 0.40518 11.8959
197 5JE8 NAD 0.001671 0.43742 12.2677
198 2I3G NAP 0.002773 0.41481 12.5
199 4HXY NDP 0.0000000001499 0.58177 12.6394
200 1HDR NAD 0.00003485 0.43389 12.7049
201 1I0Z NAI 0.0001465 0.40362 13.3829
202 9LDB NAD 0.000194 0.40343 13.7546
203 9LDT NAD 0.0001886 0.40316 13.7546
204 5L4S 6KX 0.0000000001697 0.60831 14.4981
205 5L4S NAP 0.0000000001697 0.60831 14.4981
206 1PZG A3D 0.0004033 0.43113 14.8699
207 2IXB NAD 0.003209 0.41234 15.6134
208 5KKA 6V0 0.0003028 0.44924 15.9851
209 1ORR NAD 0.00000003492 0.52034 16.3569
210 5JE0 SAH 0.003107 0.41288 16.5992
211 5JE0 AZ8 0.003107 0.41288 16.5992
212 3O26 NDP 0.00000000001916 0.59898 19.2926
213 1N5D NDP 0.0000000001599 0.57841 20.0744
214 3G89 SAM 0.001276 0.47683 20.4461
215 1FK8 NAD 0.0000000008364 0.70319 20.6226
216 1WMA AB3 0.0000000004501 0.61879 22.8261
217 1WMA NDP 0.0000000004501 0.60997 22.8261
218 3WXB NDP 0.00000000005729 0.71371 23.7918
219 3H4V DVP 0.00000001521 0.56619 24.1636
220 3H4V NAP 0.00000004009 0.54899 24.1636
221 4IXW IXW 0.008426 0.44833 24.4094
222 3JQ7 NAP 0.00000001256 0.64056 25.6506
223 4J1Q NDP 0.000000004545 0.52422 26.3941
224 1NVM NAD 0.002935 0.41385 26.3941
225 2WD7 NAP 0.000000007303 0.52321 26.4925
226 1W8D NAP 0.0000000002982 0.53071 27.1375
227 1W73 NAP 0.0000000004098 0.52789 27.1375
228 1W6U NAP 0.0000000001769 0.53734 27.881
229 4K26 SFF 0.0000000006533 0.60004 29.7398
230 4K26 NDP 0.000000003245 0.54344 29.7398
231 3CH6 311 0.0000000006842 0.63768 30.4833
232 3CH6 NAP 0.0000000006842 0.63768 30.4833
233 1GZ6 NAI 0.00000000007935 0.70821 32.342
234 1XSE NDP 0.00000000004944 0.63998 33.0855
235 3RJ5 NAD 0.00000000002269 0.64197 33.4572
236 1OAA OAA 0.0000000002533 0.62711 34.2007
237 2BD0 NAP 0.000000000000701 0.65241 35.6877
238 1ZBQ NAD 0.00000000001522 0.6117 36.0595
239 4J7U YTZ 0.000000000703 0.61049 36.803
240 4J7U NAP 0.000000000703 0.61049 36.803
241 1Z6Z NAP 0.000000002344 0.54275 37.1747
242 3V1U NAD 0.000000000001013 0.5978 40.5204
243 1XKQ NDP 0.00000000002554 0.61577 40.8922
244 1PR9 NAP 0.000000000001585 0.64989 41.2639
245 3D3W NAP 0.000000000002748 0.64325 41.2639
246 2GDZ NAD 0.00000000000001577 0.68063 41.6357
247 1AE1 NAP 0.00000000002286 0.61612 42.3792
248 4FC7 NAP 0.0000000002831 0.62359 42.7509
249 4FC7 COA 0.0000000002831 0.62359 42.7509
250 3HB5 NAP 0.00000000004621 0.60885 42.7509
251 1A27 NAP 0.0000000002628 0.5658 42.7509
252 3HB5 E2B 0.0003439 0.47001 42.7509
253 1U7T TDT 0.000000000009434 0.66781 43.1227
254 1U7T NAD 0.000000000002949 0.60678 43.1227
255 3ZV6 4HB 0.000000000005658 0.67997 43.4944
256 3ZV6 NAD 0.000000000004337 0.679 43.4944
257 3VZS NAP 0.0000000001207 0.63973 43.4944
258 3VZS CAA 0.0000000007732 0.50856 43.4944
259 1O5I NAD 0.000001756 0.41947 43.4944
260 4CLO NAP 0.000000002374 0.67008 43.8662
261 4CME NAP 0.000000003148 0.65853 43.8662
262 3BMQ NAP 0.000000003313 0.65131 43.8662
263 4CM8 NAP 0.000000005131 0.65001 43.8662
264 4CM4 NAP 0.000000005413 0.64908 43.8662
265 3JQF NAP 0.00000000379 0.649 43.8662
266 3JQA NAP 0.00000001 0.6446 43.8662
267 4CMI NAP 0.000000008824 0.64056 43.8662
268 3JQG NAP 0.00000001358 0.63918 43.8662
269 2DKN NAI 0.000000000001453 0.62458 43.8662
270 4CM9 NAP 0.000000002715 0.53905 43.8662
271 3JQ8 NAP 0.000000003502 0.53549 43.8662
272 3BMN NAP 0.000000004793 0.53288 43.8662
273 3JQ9 NAP 0.000000008039 0.52778 43.8662
274 3BMO NAP 0.000000006123 0.5241 43.8662
275 4CLR NAP 0.000000006337 0.5233 43.8662
276 3JQB NAP 0.00000001663 0.50848 43.8662
277 4CME KTZ 0.01913 0.42513 43.8662
278 4NBT NAD 0.00000000000009059 0.65278 44.2379
279 1XHL NDP 0.000000000007793 0.62531 44.2379
280 3ICC NAP 0.00000000005337 0.59662 44.2379
281 1G0N PHH 0.0000000000002359 0.72035 44.6097
282 1G0N NDP 0.0000000000002046 0.70524 44.6097
283 1UZN NAP 0.00000003791 0.42886 44.6097
284 1E3W NAD 0.0000000000003268 0.80957 44.9814
285 1E6W NAD 0.0000000000003678 0.80754 44.9814
286 2ZAT NAP 0.0000000001527 0.5753 44.9814
287 1H5Q NAP 0.000000000003147 0.62431 45.3532
288 4QED NAP 0.0000000000311 0.59021 45.3532
289 2B4Q NAP 0.00000000002151 0.60093 45.7249
290 1VL8 NAP 0.00000000000121 0.76314 46.8401
291 3QWI CUE 0.00000000001088 0.66579 47.2119
292 3QWI NAP 0.000000000002513 0.63483 47.2119
293 2RH4 EMO 0.000000000002113 0.67024 47.5836
294 1Q7B NAP 0.00000000131 0.66722 47.5836
295 1GEG NAD 0.00000000000001565 0.86166 48.3271
296 1GEE NAD 0.00000000001632 0.74247 49.8141
Pocket No.: 5; Query (leader) PDB : 4ITU; Ligand: 1HS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4itu.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ITU; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4itu.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ITU; Ligand: 1HS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4itu.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4ITU; Ligand: 1HS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4itu.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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