Receptor
PDB id Resolution Class Description Source Keywords
3OID 1.8 Å EC: 1.3.1.10 CRYSTAL STRUCTURE OF ENOYL-ACP REDUCTASES III (FABL) FROM B. (COMPLEX WITH NADP AND TCL) BACILLUS SUBTILIS FATTY ACID SYNTHESIS ENOYL-ACP REDUCTASES FABL ROSSMANN-LNADPH BINDING OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF ENOYL-ACP REDUCTASES I (FABI) (FABL) FROM B. SUBTILIS J.MOL.BIOL. V. 406 403 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:501;
B:503;
C:504;
D:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
TCL A:601;
B:603;
C:604;
D:602;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
289.542 C12 H7 Cl3 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OID 1.8 Å EC: 1.3.1.10 CRYSTAL STRUCTURE OF ENOYL-ACP REDUCTASES III (FABL) FROM B. (COMPLEX WITH NADP AND TCL) BACILLUS SUBTILIS FATTY ACID SYNTHESIS ENOYL-ACP REDUCTASES FABL ROSSMANN-LNADPH BINDING OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF ENOYL-ACP REDUCTASES I (FABI) (FABL) FROM B. SUBTILIS J.MOL.BIOL. V. 406 403 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
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: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Ligand no: 2; Ligand: TCL; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 TCL 1 1
2 FT3 0.666667 0.758621
3 FT2 0.652174 0.88
4 FT1 0.652174 0.916667
5 FB4 0.555556 0.709677
6 JPM 0.555556 0.88
7 JPJ 0.545455 0.88
8 JPA 0.535714 0.88
9 JPL 0.526316 0.758621
10 8PC 0.517241 0.6875
11 DCN 0.511111 1
12 JPN 0.508475 0.846154
13 CH8 0.489362 1
14 J47 0.454545 0.814815
15 43F 0.418182 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OID; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3oid.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3OID; Ligand: TCL; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 3oid.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GZ9 ANP 0.007779 0.43178 1.16279
2 2Q1H AS4 0.00945 0.42216 2
3 5UAO FAD 0.02212 0.42816 2.32558
4 1ZOA 140 0.04711 0.4063 2.32558
5 4LSJ LSJ 0.01165 0.42106 2.71318
6 5UIU 8CG 0.04237 0.40369 2.71318
7 5V13 JH3 0.02312 0.40228 2.71318
8 4JGX PLM 0.01026 0.41431 3.10078
9 1ZPD DPX 0.04495 0.4 3.10078
10 3ZW2 NAG GAL FUC 0.00984 0.41059 3.44828
11 3ZW2 GLA NAG GAL FUC 0.01603 0.40857 3.44828
12 4PIV NDP 0.0127 0.43185 4.65116
13 3TKY N7I 0.01571 0.40053 4.65116
14 4MGB XDH 0.008703 0.42205 4.70588
15 4MG7 27H 0.0192 0.40459 4.70588
16 3UUD EST 0.009481 0.41602 4.78088
17 4R0M FA5 0.03961 0.40051 5.03876
18 1TDF NAP 0.01481 0.45709 6.58915
19 1TDF FAD 0.008724 0.45578 6.58915
20 1PZX PLM 0.01889 0.4102 6.58915
21 1VJ7 GPX 0.01136 0.40926 7.75194
22 1VPV PLM 0.02449 0.41028 13.9535
23 3O26 NDP 0.006924 0.44467 18.2171
24 3CH6 311 0.005675 0.47609 32.9457
25 3CH6 NAP 0.005675 0.47609 32.9457
26 4J7U NAP 0.008928 0.45171 39.9225
27 4J7U YTZ 0.008928 0.45171 39.9225
28 1Z6Z NAP 0.0353 0.40684 39.9225
29 2GDZ NAD 0.01378 0.42875 41.8605
30 1W6U HXC 0.02289 0.40746 42.6357
31 1ZK4 NAP 0.01767 0.42966 44.2231
32 4FC7 COA 0.001685 0.49154 44.9612
33 4FC7 NAP 0.001685 0.49154 44.9612
34 2FOI JPA 0.0000235 0.50896 45
35 1AE1 NAP 0.003316 0.46553 46.8992
36 4NBW NAD 0.03979 0.40165 47.4708
37 1MXH DHF 0.005553 0.4591 50
38 1MXH NAP 0.007407 0.45228 50
Pocket No.: 3; Query (leader) PDB : 3OID; Ligand: TCL; 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: 3oid.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3OID; Ligand: NDP; Similar sites found: 493
This union binding pocket(no: 4) in the query (biounit: 3oid.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDO NAP 0.000007678 0.48784 None
2 5FTW SAH 0.008201 0.41001 None
3 1KYQ NAD 0.005478 0.4279 1.16279
4 3BY9 SIN 0.02615 0.41966 1.16279
5 2G5C NAD 0.001778 0.41471 1.16279
6 3CMC NAD 0.002491 0.42879 1.55039
7 1WP4 NDP 0.001365 0.42472 1.55039
8 5ULP KB1 0.006364 0.40611 1.55039
9 2CVZ NDP 0.006357 0.40083 1.55039
10 4LZB URA 0.04245 0.40261 1.68067
11 1JG3 ADN 0.00657 0.42073 1.70213
12 4YGM URA 0.02312 0.41247 1.72414
13 1R6D NAD 0.000001496 0.54615 1.93798
14 1R6D DAU 0.000002542 0.53604 1.93798
15 1HYE NAP 0.0004275 0.45859 1.93798
16 3W9F I3P 0.03493 0.41015 1.93798
17 1O0S NAI 0.006407 0.40879 1.93798
18 2GK6 ADP 0.04723 0.40595 1.93798
19 1QAN SAH 0.004054 0.42029 2.04918
20 2CUL FAD 0.001715 0.40043 2.15517
21 3P2E SAH 0.006384 0.41481 2.22222
22 3WV8 ATP 0.0007492 0.45971 2.29358
23 3DXY SAM 0.02891 0.4035 2.29358
24 1SB8 UD2 0.0000005835 0.56085 2.32558
25 1SB8 NAD 0.0000006728 0.55339 2.32558
26 1E7S NAP 0.0000004046 0.53538 2.32558
27 2V6G NAP 0.0000003504 0.53384 2.32558
28 1GY8 NAD 0.000001242 0.53059 2.32558
29 2F1K NAP 0.0006399 0.44089 2.32558
30 1GV0 NAD 0.0001861 0.43246 2.32558
31 4M38 SAH 0.006102 0.41567 2.32558
32 3EVG SAH 0.00963 0.41312 2.32558
33 2P41 SAH 0.01123 0.41006 2.32558
34 5U5G NAP 0.002875 0.4093 2.32558
35 1QO8 FAD 0.002959 0.40899 2.32558
36 4E5N NAD 0.002663 0.4055 2.32558
37 2V3A FAD 0.003228 0.40345 2.32558
38 5DX8 SFG 0.008683 0.40318 2.32558
39 5DX1 SFG 0.007359 0.40083 2.32558
40 1P31 EPU 0.01805 0.40057 2.32558
41 1LLU NAD 0.002173 0.40055 2.32558
42 2VDV SAM 0.002189 0.45499 2.43902
43 2HJR APR 0.00005604 0.49594 2.71318
44 5E8J SAH 0.0006205 0.48165 2.71318
45 1ZQ9 SAM 0.00225 0.44204 2.71318
46 1BW9 NAD 0.001506 0.43885 2.71318
47 3I6I NDP 0.00006945 0.43645 2.71318
48 2EXX NAP 0.0002232 0.4358 2.71318
49 1I9G SAM 0.002314 0.43421 2.71318
50 1KYZ SAH 0.004846 0.42679 2.71318
51 1C1X NAD 0.002157 0.41971 2.71318
52 3GU3 SAH 0.01656 0.41952 2.71318
53 4YCA NDP 0.002551 0.41678 2.71318
54 4RQU NAD 0.00201 0.41533 2.71318
55 1GET NAP 0.005947 0.41488 2.71318
56 3OA2 NAD 0.002269 0.41329 2.71318
57 2EV9 SKM 0.002306 0.40539 2.71318
58 4J4H NAI 0.004764 0.40482 2.71318
59 4J4H 1J1 0.004764 0.40482 2.71318
60 2YX1 SFG 0.02359 0.4045 2.71318
61 1GET FAD 0.01042 0.40385 2.71318
62 2O07 MTA 0.004922 0.40272 2.71318
63 1VKO NAD 0.002762 0.4025 2.71318
64 2EV9 NAP 0.002306 0.40026 2.71318
65 4JK3 NAD 0.000868 0.4002 2.71318
66 1U1I NAD 0.0009876 0.41289 2.80612
67 4GLL NAD 0.0000003634 0.53717 3.10078
68 1VL0 NAI 0.000000162 0.52058 3.10078
69 3V1Y NAD 0.0001693 0.46406 3.10078
70 2C5A NAD 0.0000001911 0.455 3.10078
71 2C5A GDC 0.0000001911 0.455 3.10078
72 4E13 NAD 0.0008354 0.45366 3.10078
73 1X14 NAD 0.002708 0.44219 3.10078
74 3G2O SAM 0.002735 0.43816 3.10078
75 2EG5 SAH 0.004915 0.43786 3.10078
76 4NEC SAH 0.004325 0.43653 3.10078
77 1MV8 NAD 0.00107 0.43193 3.10078
78 1HDG NAD 0.001288 0.43178 3.10078
79 1MUU NAD 0.001608 0.42785 3.10078
80 2PV7 NAD 0.001425 0.42399 3.10078
81 2D7I UDP 0.01297 0.421 3.10078
82 2Y6Q FAD 0.001423 0.41314 3.10078
83 1RSG FAD 0.002849 0.40961 3.10078
84 3L4S NAD 0.001978 0.40786 3.10078
85 3GXO SAH 0.02035 0.40766 3.10078
86 1YY5 FAD 0.004037 0.40577 3.10078
87 1MO9 FAD 0.01504 0.40349 3.10078
88 1RYI FAD 0.003964 0.40321 3.10078
89 3L4S 3PG 0.002296 0.40308 3.10078
90 5GM1 SAH 0.009597 0.40133 3.10078
91 1CM8 ANP 0.02462 0.40035 3.10078
92 1MO9 KPC 0.01852 0.40026 3.10078
93 4OBW SAM 0.01469 0.40469 3.11284
94 2Q1S NAI 0.00001713 0.49467 3.48837
95 1P77 ATR 0.002735 0.47001 3.48837
96 5MDH NAD 0.0004819 0.44256 3.48837
97 4MDH NAD 0.0005781 0.43944 3.48837
98 1OC2 NAD 0.000002295 0.42498 3.48837
99 1OC2 TDX 0.000002295 0.42498 3.48837
100 4A6D SAM 0.004469 0.42494 3.48837
101 1LDN NAD 0.0005049 0.421 3.48837
102 3A27 SAM 0.007704 0.41756 3.48837
103 5H81 NAP 0.00499 0.41639 3.48837
104 5FJN FAD 0.002853 0.40958 3.48837
105 1YKJ FAD 0.007024 0.40881 3.48837
106 5FJN BE2 0.003615 0.40851 3.48837
107 1D1T NAD 0.00199 0.40776 3.48837
108 4XB2 NDP 0.0004307 0.40328 3.48837
109 4XB2 HSE 0.001954 0.4031 3.48837
110 5VN0 NAI 0.006056 0.40168 3.48837
111 1LES GLC FRU 0.04125 0.41328 3.84615
112 5MSO NAP 0.00000009075 0.5953 3.87597
113 2UYQ SAM 0.003408 0.46444 3.87597
114 1DSS NAD 0.0002058 0.46431 3.87597
115 3QV1 NAD 0.0004963 0.4487 3.87597
116 5KKA 6V0 0.0001594 0.44828 3.87597
117 3H8V ATP 0.001876 0.44565 3.87597
118 5L95 AMP 0.001832 0.44231 3.87597
119 3VPH NAD 0.0002172 0.44033 3.87597
120 1HYH NAD 0.0005183 0.43221 3.87597
121 1J0X NAD 0.001006 0.4277 3.87597
122 4R5M NAP 0.0009946 0.42719 3.87597
123 3KB6 NAD 0.00183 0.4197 3.87597
124 3VPH OXM 0.0005212 0.41817 3.87597
125 1I2B NAD 0.000006332 0.41669 3.87597
126 4R5M 4NO 0.001576 0.41406 3.87597
127 2BRY FAD 0.001355 0.41141 3.87597
128 4PNE SAH 0.005706 0.41092 3.87597
129 4MIG G3F 0.003711 0.41071 3.87597
130 3KB6 LAC 0.02927 0.40985 3.87597
131 5AJP UDP 0.01991 0.40479 3.87597
132 1GQ2 NAP 0.003987 0.40378 3.87597
133 5E70 RCD 0.03996 0.40276 3.87597
134 5FV9 UDP 0.008984 0.40255 3.87597
135 5FV9 Y6W 0.008984 0.40255 3.87597
136 1E6E FAD 0.001203 0.41705 3.90625
137 3MB5 SAM 0.00171 0.43311 3.92157
138 1JNR FAD 0.009002 0.4105 4
139 5F5N NAD 0.000002426 0.53804 4.15225
140 2I3G NAP 0.0001384 0.45373 4.26136
141 3A4V NAD 0.0000002348 0.5296 4.26357
142 3A4V PYR 0.0000002348 0.5296 4.26357
143 1ZGA SAH 0.001437 0.46389 4.26357
144 1G55 SAH 0.002339 0.43755 4.26357
145 2DFV NAD 0.0007576 0.43481 4.26357
146 3BAZ NAP 0.001231 0.43259 4.26357
147 4RLQ 3SK 0.02244 0.42085 4.26357
148 4ZNO SUC 0.01935 0.41807 4.26357
149 1J49 NAD 0.003023 0.40845 4.26357
150 2QZZ NAP 0.002455 0.40677 4.26357
151 2QZZ EMF 0.002629 0.40677 4.26357
152 3WWC BUA 0.04139 0.40669 4.26357
153 3DMH SAM 0.01049 0.40529 4.26357
154 3DMH GMP 0.005498 0.40082 4.26357
155 4ZGS NAD 0.0005739 0.40065 4.26357
156 3EGV SAH 0.01998 0.40155 4.33071
157 2PT9 2MH 0.002671 0.40192 4.36137
158 4R1S NAP 0.00000003239 0.61326 4.65116
159 4PIV NDP 0.00000007216 0.55774 4.65116
160 3RFV NAI 0.000002074 0.5359 4.65116
161 2PZM UDP 0.000003076 0.5229 4.65116
162 2PZM NAD 0.000003076 0.5229 4.65116
163 5JAQ NAI 0.0000009282 0.49503 4.65116
164 3RFV 15L 0.00006442 0.4809 4.65116
165 1EZ4 NAD 0.0001944 0.46166 4.65116
166 4RDH AMP 0.001354 0.46058 4.65116
167 4OOE NDP 0.000385 0.44975 4.65116
168 5JE8 NAD 0.0007712 0.44088 4.65116
169 4RDI ATP 0.002545 0.43959 4.65116
170 5LD5 NAD 0.001411 0.43664 4.65116
171 5BW4 SAM 0.003892 0.43484 4.65116
172 3LST SAH 0.008035 0.42744 4.65116
173 3WLE NAD 0.0008369 0.42287 4.65116
174 1HKU NAD 0.0009724 0.42194 4.65116
175 2D2I NAP 0.003146 0.41885 4.65116
176 4KRI SAH 0.005573 0.41741 4.65116
177 1V59 FAD 0.00235 0.41566 4.65116
178 3AD8 FAD 0.00722 0.41025 4.65116
179 5X62 SAH 0.01307 0.41022 4.65116
180 1XDS SAM 0.01909 0.40903 4.65116
181 1QZZ SAM 0.02091 0.40708 4.65116
182 1JQ3 AAT 0.002324 0.40288 4.65116
183 3G89 SAM 0.001798 0.45914 4.81928
184 2I7C AAT 0.002201 0.40374 4.947
185 2BKA NDP 0.000001277 0.53937 4.95868
186 5IN4 6CK 0.00003172 0.54463 5.03876
187 5IN4 NAP 0.00003468 0.5433 5.03876
188 5IN4 GDP 0.00003584 0.54149 5.03876
189 1LDM NAD 0.001082 0.42295 5.03876
190 1H2B NAJ 0.001275 0.41237 5.03876
191 4UCI SAM 0.01036 0.40853 5.03876
192 4BHL ARG 0.0366 0.40729 5.03876
193 1YB5 NAP 0.002168 0.40072 5.03876
194 2PXX SAH 0.005798 0.41986 5.11628
195 1S9D GDP 0.03076 0.40214 5.41872
196 1CER NAD 0.0004801 0.4459 5.42636
197 9LDB NAD 0.0002247 0.44584 5.42636
198 4KOA NDP 0.003588 0.43649 5.42636
199 4K28 NAD 0.001116 0.43432 5.42636
200 9LDT NAD 0.0002329 0.43272 5.42636
201 3A06 NDP 0.0003006 0.43081 5.42636
202 1EK6 NAI 0.000004142 0.42449 5.42636
203 3A06 FOM 0.0003228 0.42151 5.42636
204 4TXI FAD 0.0008497 0.42142 5.42636
205 1N7G GDR 0.000005414 0.41352 5.42636
206 1U8X NAD 0.003434 0.41159 5.42636
207 1EK6 UPG 0.000007722 0.41134 5.42636
208 3IHG FAD 0.00252 0.40892 5.42636
209 2AJH MET 0.04212 0.4051 5.42636
210 4DCM SAM 0.02018 0.4045 5.42636
211 2EJU SAH 0.01786 0.40077 5.42636
212 2QBU SAH 0.01124 0.41003 5.60345
213 5E1M SAH 0.01366 0.40022 5.80913
214 3KO8 NAD 0.00000004204 0.5805 5.81395
215 1WVG APR 0.000001797 0.54837 5.81395
216 3ICS ADP 0.0007116 0.48389 5.81395
217 3H9E NAD 0.0004768 0.44602 5.81395
218 3GFB NAD 0.000782 0.43427 5.81395
219 2VYN NAD 0.001193 0.42412 5.81395
220 1C3V NDP 0.002181 0.40876 6.12245
221 1RKX NAD 0.00000008043 0.57521 6.20155
222 4ZRN NAD 0.00000003768 0.56953 6.20155
223 1Y1P NMN AMP PO4 0.000005415 0.53888 6.20155
224 2X6T NAP 0.000004756 0.51288 6.20155
225 1EQ2 NAP 0.00001217 0.49731 6.20155
226 4ZRN UPG 0.0000003916 0.46137 6.20155
227 2ZWA SAH 0.001419 0.43997 6.20155
228 1GUZ NAD 0.0001988 0.42801 6.20155
229 3SSO SAH 0.004818 0.42019 6.20155
230 1F8G NAD 0.004354 0.41895 6.20155
231 2HYV UAP SGN IDS SGN IDS 0.02873 0.41603 6.20155
232 4N9Z V3L 0.01112 0.41448 6.20155
233 5JGL SAM 0.01056 0.40815 6.20155
234 3FUU ADN 0.01184 0.40591 6.20155
235 4EIP K2C 0.006054 0.40083 6.20155
236 3MQ2 SAH 0.003503 0.43697 6.42202
237 2YVJ NAI 0.006716 0.4203 6.42202
238 3C8F MT2 0.0228 0.40712 6.53061
239 5KOK SAH 0.004173 0.42627 6.54912
240 2C29 NAP 0.0000008394 0.47342 6.58915
241 1PL6 NAD 0.00051 0.46308 6.58915
242 2C29 DQH 0.000002619 0.45792 6.58915
243 3ABI NAD 0.0001426 0.45653 6.58915
244 1L7E NAI 0.004459 0.41255 6.58915
245 1PZG A3D 0.0005158 0.41108 6.58915
246 1PL6 572 0.002092 0.40696 6.58915
247 1L1E SAH 0.01643 0.40245 6.58915
248 1R37 NAD 0.002951 0.40033 6.58915
249 1EJ0 SAM 0.001535 0.44964 6.66667
250 4J1Q NDP 0.00000004716 0.54929 6.68103
251 5XVK SAH 0.009404 0.40171 6.69014
252 3LU1 NAD 0.00000009025 0.57858 6.86813
253 1Z45 NAD 0.0000002161 0.56411 6.97674
254 3B1F NAD 0.00009806 0.49 6.97674
255 3OJO NAD 0.0008815 0.44529 6.97674
256 4C4A SAH 0.00189 0.4417 6.97674
257 3B1J NAD 0.0009478 0.42514 6.97674
258 3L9W AMP 0.001994 0.41022 6.97674
259 5DOZ NDP 0.002408 0.40232 6.97674
260 1LVL NAD 0.001859 0.43839 7.20524
261 5F8F SFG 0.005403 0.43191 7.36434
262 4PLG NAI 0.0004076 0.41458 7.36434
263 3NJ4 AFX 0.02903 0.40361 7.36434
264 3NJ4 NAD 0.03049 0.40268 7.36434
265 3ZOA ACR 0.04614 0.40004 7.36434
266 3JQM GTP 0.02601 0.40942 7.64331
267 2CVQ NDP 0.0004257 0.44149 7.64526
268 4QTU SAM 0.0003103 0.47686 7.69231
269 1ORR NAD 0.00000005464 0.57124 7.75194
270 3PNQ 2HA 0.0114 0.4422 7.75194
271 5THY SAH 0.001747 0.43957 7.75194
272 3A4T SFG 0.00253 0.42913 7.75194
273 1OMO NAD 0.002504 0.42298 7.75194
274 1X7D NAD 0.001389 0.42157 7.75194
275 1CF2 NAP 0.0003951 0.41147 7.75194
276 1ZMD NAI 0.004188 0.41085 7.75194
277 5FA5 MTA 0.01853 0.40629 7.75194
278 5DN9 NAD 0.001977 0.40544 7.75194
279 3CTY FAD 0.004427 0.40425 7.75194
280 1I8T FAD 0.003288 0.40422 7.75194
281 3T31 DCQ 0.008715 0.40169 7.75194
282 3T31 FAD 0.008141 0.40141 7.75194
283 3LKZ SFG 0.01492 0.40139 7.75194
284 2F5Z FAD 0.004243 0.40402 7.8125
285 1LSS NAD 0.001276 0.44557 7.85714
286 1J5P NAD 0.004376 0.40474 7.90514
287 1R18 SAH 0.006686 0.4109 7.92952
288 4JBI NDP 0.007273 0.40104 8.10811
289 2PK3 A2R 0.000004342 0.55991 8.13953
290 1O6Z NAD 0.0004451 0.45417 8.13953
291 5MPT SAH 0.001977 0.44461 8.13953
292 4DPL NAP 0.0003457 0.44186 8.13953
293 1E5Q NDP 0.00146 0.42073 8.13953
294 2JL1 NAP 0.0001277 0.4137 8.13953
295 4XZ3 COA 0.00699 0.40718 8.13953
296 2NU8 COA 0.003538 0.41107 8.33333
297 4D3F NAP 0.001927 0.43423 8.52713
298 2IXB NAD 0.0008995 0.42322 8.52713
299 3UOY NAP 0.006752 0.41204 8.52713
300 2VHW NAI 0.001676 0.41175 8.52713
301 5X20 NAD 0.006333 0.4035 8.52713
302 4K5S FAD 0.002416 0.40227 8.52713
303 5UAV NDP 0.0009146 0.41403 8.69565
304 5UAV TFB 0.0009386 0.41019 8.69565
305 2A92 NAI 0.0002622 0.44029 8.72274
306 1BXK NAD 0.0000001796 0.53394 8.91473
307 1LTH NAD 0.00007496 0.48632 8.91473
308 1IM8 SAI 0.008798 0.40867 9.01639
309 1TZD ADP 0.02868 0.41915 9.09091
310 2GAG FAD 0.003496 0.40907 9.09091
311 2GAG FOA 0.004645 0.40436 9.09091
312 1RPN NDP 0.0000003215 0.52477 9.30233
313 2GZ3 NAP 0.0005285 0.42244 9.30233
314 2C2A ADP 0.01907 0.4025 9.30233
315 4HXY NDP 0.000000004071 0.62385 9.68992
316 2YY7 NAD 0.0000004598 0.53016 9.68992
317 1NVM NAD 0.001253 0.41781 9.68992
318 1QSC ACE TYR PRO ILE GLN GLU THR 0.02582 0.40258 9.94764
319 1UXG NAD 0.0001638 0.42273 10.0775
320 3WQQ IB3 0.0001763 0.41042 10.0775
321 3WQQ NDP 0.0001763 0.41042 10.0775
322 3WMX NAD 0.000002026 0.54118 10.4651
323 4PVD NDP 0.0000003008 0.51607 10.4651
324 5CAE COA 0.001215 0.43605 10.4651
325 1SQF SAM 0.003179 0.43517 10.4651
326 2BH9 NAP 0.01059 0.41793 10.4651
327 4RSL FAD 0.0008395 0.40796 10.4651
328 2DKH FAD 0.002393 0.40242 10.4651
329 4TQG NDP 0.000000004326 0.59077 10.8527
330 2B4R NAD 0.0002487 0.44418 10.8527
331 2B4R AES 0.0006336 0.43181 10.8527
332 3JV7 NAD 0.002221 0.41102 10.8527
333 3EGI ADP 0.04555 0.40412 11.165
334 3SQP FAD 0.02865 0.41393 11.2403
335 1T10 F6P 0.04419 0.40612 11.2403
336 1UDB NAD 0.000002151 0.43902 11.6279
337 3CIF NAD 0.0001165 0.43804 11.6279
338 3CIF G3H 0.001134 0.41678 11.6279
339 1V6A TRE 0.004597 0.45851 11.747
340 2DT5 NAD 0.001465 0.42067 11.8483
341 2FR1 NDP 0.00000002691 0.58766 12.0155
342 2IZ1 ATR 0.002214 0.47609 12.0155
343 5JJR SAH 0.01455 0.40488 12.0155
344 5XVQ SAH 0.008172 0.4043 12.0155
345 5L4L NAP 0.0000000972 0.6063 12.4031
346 3MJE NDP 0.000000002449 0.60452 12.4031
347 5L4L 7OX 0.000009266 0.46908 12.4031
348 1XSE NDP 0.00000000002431 0.6286 12.7907
349 1A5Z NAD 0.00004853 0.50317 12.7907
350 1SOW NAD 0.0003628 0.42912 12.7907
351 1NYT NAP 0.002932 0.41718 12.7907
352 2NSJ C2R 0.02567 0.40611 13.0178
353 2Q1W NAD 0.00000003805 0.5821 13.1783
354 1KEW TYD 0.000002871 0.53165 13.1783
355 5AHO TLA 0.0003119 0.52941 13.1783
356 1KEW NAD 0.000003583 0.52911 13.1783
357 2JJQ SAH 0.01093 0.42089 13.1783
358 4Y8D 49J 0.04441 0.40472 13.1783
359 3RGG AIR 0.01974 0.4156 13.2075
360 3ORF NAD 0.00001355 0.49957 13.5458
361 3OFK SAH 0.01259 0.41097 13.8889
362 4J36 FAD 0.001257 0.4126 13.9535
363 4J36 1HR 0.002644 0.41181 13.9535
364 2VUT NAD 0.01033 0.40559 13.9535
365 1I0Z NAI 0.000684 0.43055 14.3411
366 2HK9 ATR 0.001215 0.4775 15.8915
367 2HK9 NAP 0.002322 0.41842 15.8915
368 1FK8 NAD 0.0000000009654 0.68187 15.9533
369 4Q3F TLA 0.03368 0.40915 16.2393
370 4U7W NDP 0.0000000142 0.62128 16.2791
371 1Y8Q ATP 0.007349 0.40626 16.2791
372 2XYQ SAH 0.003806 0.4316 16.3934
373 3VYW SAM 0.01365 0.40024 16.6667
374 4GKV NAD 0.000325 0.42976 16.9643
375 4EUE NAI 0.00000004262 0.57104 17.0543
376 4CJX NAP 0.005192 0.40703 17.0543
377 5D4V SAH 0.009836 0.40364 17.0543
378 2Q28 ADP 0.0043 0.42569 17.4419
379 2BOS GLA GAL GLC 0.02619 0.41747 17.6471
380 2BOS GLA GAL GLC NBU 0.03381 0.41026 17.6471
381 2BOS GLA GAL 0.01541 0.40964 17.6471
382 4D79 ATP 0.0002886 0.4828 17.8295
383 5FI3 NAP 0.001431 0.41831 17.8295
384 3O26 NDP 0.00000000005306 0.66132 18.2171
385 5L53 NAP 0.000000001714 0.69508 18.6047
386 2DKN NAI 0.00000000001189 0.73451 18.8235
387 2HMT NAI 0.0004514 0.46142 20.8333
388 4YMH SAH 0.01072 0.40487 22.0833
389 5L4S NAP 0.0000000006418 0.6072 22.093
390 5L4S 6KX 0.0000000006418 0.6072 22.093
391 1N5D NDP 0.000000000699 0.65258 23.2558
392 2DC1 NAD 0.001528 0.42278 23.3051
393 3RJ5 NAD 0.00000001414 0.55846 24.8032
394 4II2 ATP 0.0102 0.40583 25.3012
395 1WMA NDP 0.00000001139 0.52906 25.969
396 1WMA AB3 0.00000001139 0.52906 25.969
397 2OOR NAD 0.004428 0.41864 28.7356
398 2Q46 NAP 0.0000000424 0.59672 29.249
399 1O94 ADP 0.002265 0.42479 30.2326
400 1DJN ADP 0.002783 0.42414 30.2326
401 4K26 NDP 0.00000000008576 0.68679 31.0078
402 4K26 SFF 0.0000000001972 0.60839 31.0078
403 1A27 NAP 0.000000001673 0.64466 32.1705
404 3RKR NAP 0.0000008048 0.63946 32.1705
405 3HB5 NAP 0.000000000504 0.543 32.1705
406 3CH6 311 0.0000000004081 0.69502 32.9457
407 3CH6 NAP 0.0000000004081 0.69502 32.9457
408 4YAG NAI 0.000000002705 0.55539 32.9457
409 1U7T NAD 0.000000000152 0.699 33.7209
410 5GT9 NAP 0.0000000001592 0.6767 33.7209
411 1U7T TDT 0.00000000003776 0.61667 33.7209
412 1GZ6 NAI 0.000000004287 0.62301 34.1085
413 2BD0 NAP 0.000000000004694 0.72652 34.4262
414 3WXB NDP 0.0000000002932 0.66674 34.8837
415 1ZBQ NAD 0.0000000006097 0.64843 35.2713
416 1SNY NAP 0.00000001766 0.55749 37.2093
417 3ZV6 NAD 0.00000001383 0.54162 37.9845
418 3ZV6 4HB 0.00000001535 0.53486 37.9845
419 1OAA OAA 0.0000000001691 0.58554 38.3721
420 3TN7 NJP 0.00000000006762 0.66533 38.5214
421 4J7U NAP 0.000000004277 0.62929 39.9225
422 4J7U YTZ 0.000000004277 0.62929 39.9225
423 1Z6Z NAP 0.000000003798 0.59914 39.9225
424 3SJU NDP 0.000000000008754 0.72399 41.4729
425 1W8D NAP 0.00000000001755 0.76187 41.8605
426 1W73 NAP 0.0000000000195 0.75997 41.8605
427 2GDZ NAD 0.000000000005843 0.69531 41.8605
428 1E6W NAD 0.000000000003939 0.74494 42.2481
429 1E3W NAD 0.000000000009062 0.73113 42.2481
430 3V1U NAD 0.0000000001836 0.71129 42.2481
431 1V35 NAI 0.0000003165 0.50091 42.2481
432 2JAH NDP 0.00000000004678 0.69667 42.5101
433 1UAY ADN 0.000008079 0.57341 42.562
434 1W6U NAP 0.00000000003154 0.63035 42.6357
435 2BGM NAJ 0.00000001076 0.56731 43.0233
436 1BDB NAD 0.00000002089 0.58642 43.4109
437 4O0L NDP 0.00000000005007 0.69556 43.6364
438 2B4Q NAP 0.000000002321 0.63923 43.7985
439 3VZS NAP 0.000000002983 0.54246 43.9689
440 3VZS CAA 0.00000002561 0.44538 43.9689
441 1ZK4 NAP 0.0000000003036 0.66023 44.2231
442 2CFC NAD 0.000000000001151 0.77384 44.4
443 1H5Q NAP 0.000000000002736 0.74296 44.5283
444 2JAP NDP 0.00000000002682 0.70574 44.5344
445 3O03 NAP 0.00000000006635 0.72113 44.5736
446 1XG5 NAP 0.00000000008223 0.68747 44.9612
447 4FC7 NAP 0.000000002043 0.6414 44.9612
448 4FC7 COA 0.000000002043 0.6414 44.9612
449 2DTX BMA 0.00000000003346 0.63452 44.9612
450 2FOI JPA 0.004584 0.44808 45
451 2RH4 EMO 0.00000000001648 0.59872 45.7364
452 3H4V DVP 0.0000000001629 0.5887 46.124
453 3H4V NAP 0.0000000005221 0.58046 46.124
454 3GEG NAD 0.0000000001563 0.63158 46.5587
455 1UZN NAP 0.00000008179 0.47815 46.5587
456 1VL8 NAP 0.000000000005682 0.71609 46.8992
457 1AE1 NAP 0.00000000001166 0.70474 46.8992
458 3U4C NDP 0.000000001184 0.60953 46.8992
459 5ITV NAI 0.00000000008383 0.68716 47.0588
460 1GEG NAD 0.00000000001612 0.72158 47.2656
461 1YXM ADE 0.00002053 0.5801 47.2868
462 4NBW NAD 0.0000000006066 0.61384 47.4708
463 1IY8 NAD 0.000000000007961 0.72554 48.062
464 4KWI NAP 0.00000000001709 0.63336 48.062
465 4KWI 1TJ 0.00000000001951 0.62372 48.062
466 4QED NAP 0.0000000004629 0.63009 48.3871
467 3ICC NAP 0.000000000000309 0.77017 48.6275
468 4CME NAP 0.00000000002767 0.72028 48.8372
469 3BMQ NAP 0.00000000002025 0.71781 48.8372
470 4CLO NAP 0.0000000000524 0.71725 48.8372
471 4CM9 NAP 0.00000000002377 0.71515 48.8372
472 3JQF NAP 0.00000000002438 0.71473 48.8372
473 5JDI NAP 0.00000000004106 0.71363 48.8372
474 5JCJ NAP 0.00000000004632 0.7116 48.8372
475 3BMO NAP 0.0000000000509 0.71001 48.8372
476 5JDC NAP 0.00000000005092 0.71001 48.8372
477 3BMN NAP 0.00000000003707 0.70779 48.8372
478 3JQ8 NAP 0.00000000003928 0.70683 48.8372
479 4CLR NAP 0.00000000006378 0.70621 48.8372
480 3JQ7 NAP 0.0000000001006 0.70608 48.8372
481 4CM8 NAP 0.00000000006634 0.70555 48.8372
482 4CM4 NAP 0.00000000006647 0.70552 48.8372
483 4CMI NAP 0.00000000008308 0.70176 48.8372
484 3JQ9 NAP 0.00000000005605 0.70093 48.8372
485 3JQA NAP 0.0000000001526 0.69894 48.8372
486 3JQB NAP 0.0000000002035 0.69401 48.8372
487 3JQG NAP 0.000000000213 0.69322 48.8372
488 5K6A NAP 0.0000000000252 0.6722 48.8372
489 2WD7 NAP 0.00000000008395 0.64755 48.8372
490 1JA9 NDP 0.000000000001257 0.73301 49.2248
491 1O5I NAD 0.00000003229 0.65524 49.3976
492 2AG5 NAD 0.000000001862 0.60966 49.5935
493 5EPO NAP 0.0000000005847 0.66208 49.6124
494 2ZAT NAP 0.00000000002309 0.71563 50
495 1XKQ NDP 0.0000000001122 0.66898 50
496 1MXH DHF 0.0000000004685 0.65757 50
497 1MXH NAP 0.0000000005074 0.65629 50
Pocket No.: 5; Query (leader) PDB : 3OID; Ligand: TCL; 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: 3oid.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3OID; Ligand: NDP; 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: 3oid.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3OID; Ligand: TCL; 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: 3oid.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3OID; Ligand: NDP; 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: 3oid.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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