Receptor
PDB id Resolution Class Description Source Keywords
5T2U 2.2 Å EC: 1.-.-.- SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) FABG MYCOBACTERIUM FATTY ACIDS OXIDOREDUCTASE
Ref.: BINDING OF NADP(+) TRIGGERS AN OPEN-TO-CLOSED TRANS A MYCOBACTERIAL FABG BETA-KETOACYL-ACP REDUCTASE. BIOCHEM. J. V. 474 907 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP D:301;
A:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T2U 2.2 Å EC: 1.-.-.- SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) FABG MYCOBACTERIUM FATTY ACIDS OXIDOREDUCTASE
Ref.: BINDING OF NADP(+) TRIGGERS AN OPEN-TO-CLOSED TRANS A MYCOBACTERIAL FABG BETA-KETOACYL-ACP REDUCTASE. BIOCHEM. J. V. 474 907 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T2U; Ligand: NAP; Similar sites found: 302
This union binding pocket(no: 1) in the query (biounit: 5t2u.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FA8 SAM 0.008513 0.40354 None
2 4YMH SAH 0.01278 0.4015 None
3 1D1T NAD 0.001525 0.41203 1.20968
4 3KU0 ADE 0.03192 0.40961 1.20968
5 4U7W NDP 0.0000000005884 0.67581 2.01613
6 1E7S NAP 0.002023 0.43374 2.01613
7 1LLU NAD 0.001229 0.41424 2.01613
8 5XVK SAH 0.00518 0.4127 2.01613
9 1U1I NAD 0.001692 0.40916 2.01613
10 5KVS NAP 0.006746 0.40505 2.01613
11 1O8B ABF 0.02076 0.41844 2.28311
12 4QM7 GTP 0.03418 0.40329 2.33918
13 1RKX NAD 0.00000001776 0.59983 2.41935
14 1JJ7 ADP 0.01164 0.43595 2.41935
15 4NEC SAH 0.007496 0.42512 2.41935
16 3CMC NAD 0.003823 0.42133 2.41935
17 1ZGS XMM 0.02797 0.42114 2.41935
18 2PV7 NAD 0.001735 0.42061 2.41935
19 5XVQ SAH 0.003668 0.41906 2.41935
20 5FTW SAH 0.00554 0.41752 2.41935
21 3EVG SAH 0.008775 0.41497 2.41935
22 3OA2 NAD 0.002434 0.4121 2.41935
23 2O2C G6Q 0.01737 0.40763 2.41935
24 1WVG APR 0.008656 0.40037 2.41935
25 3EGI ADP 0.01803 0.42599 2.42718
26 3GDH SAH 0.002511 0.42293 2.48963
27 3MQ2 SAH 0.02033 0.40119 2.75229
28 1EQ2 NAP 0.0000008903 0.54065 2.82258
29 1P77 ATR 0.004644 0.45768 2.82258
30 1G55 SAH 0.001009 0.45392 2.82258
31 1X87 NAD 0.0008573 0.4458 2.82258
32 5THY SAH 0.005197 0.41874 2.82258
33 4GKV NAD 0.0007537 0.41673 2.82258
34 1H3F TYE 0.02792 0.41534 2.82258
35 3KB6 NAD 0.002448 0.4147 2.82258
36 1V59 NAD 0.01799 0.41388 2.82258
37 1J0X NAD 0.002787 0.41094 2.82258
38 1PZG A3D 0.0005905 0.40983 2.82258
39 2A92 NAI 0.001872 0.40403 2.82258
40 5DN9 NAD 0.00234 0.40277 2.82258
41 1V47 ADX 0.01391 0.40276 2.82258
42 1P31 EPU 0.01697 0.4018 2.82258
43 5HWK BEZ 0.02534 0.41872 2.91667
44 2DBZ NAP 0.001058 0.42615 2.99401
45 1CER NAD 0.0003612 0.45086 3.22581
46 3G2O SAM 0.001526 0.44975 3.22581
47 5LD5 NAD 0.0009827 0.44329 3.22581
48 1NYT NAP 0.00143 0.42993 3.22581
49 2B4R NAD 0.000567 0.41968 3.22581
50 3GRU AMP 0.003736 0.41872 3.22581
51 3VPH OXM 0.001038 0.41819 3.22581
52 5KKA 6V0 0.0007759 0.41771 3.22581
53 3VPH NAD 0.0009411 0.41717 3.22581
54 2UYQ SAM 0.02646 0.41553 3.22581
55 1ZH8 NAP 0.00253 0.41414 3.22581
56 4R5M 4NO 0.0008898 0.41266 3.22581
57 4R5M NAP 0.0006437 0.41233 3.22581
58 4GA6 AMP 0.01416 0.40858 3.22581
59 3PT9 SAH 0.01362 0.4062 3.22581
60 2FZW NAD 0.003914 0.40535 3.22581
61 3QV1 NAD 0.0006555 0.40225 3.22581
62 2VT3 ATP 0.001623 0.46606 3.25581
63 2CBZ ATP 0.01519 0.4322 3.37553
64 2PZE ATP 0.01609 0.42825 3.49345
65 2VYN NAD 0.001627 0.4189 3.62903
66 1HYH NAD 0.002562 0.40614 3.62903
67 2CVZ NDP 0.005071 0.40478 3.62903
68 3OJO NAD 0.009197 0.40212 3.62903
69 2DFV NAD 0.001044 0.4009 3.62903
70 3EW2 BTN 0.03835 0.4007 3.7037
71 2DT5 NAD 0.001974 0.41564 3.79147
72 2XVM SAH 0.002264 0.45427 4.0201
73 4HXY NDP 0.0000000008597 0.64921 4.03226
74 4EUE NAI 0.0000003684 0.54568 4.03226
75 2HK9 ATR 0.0007011 0.48967 4.03226
76 3ABI NAD 0.000076 0.46696 4.03226
77 3V1Y NAD 0.0002631 0.45638 4.03226
78 3O7W SAM 0.00323 0.44675 4.03226
79 3CIF NAD 0.0002562 0.42649 4.03226
80 3TLJ SAH 0.003547 0.41968 4.03226
81 2HK9 NAP 0.002669 0.41599 4.03226
82 2CVQ NDP 0.002062 0.4149 4.03226
83 3CIF G3H 0.001823 0.4092 4.03226
84 5F7J ADE 0.04572 0.40513 4.03226
85 2PHR MAN MAN BMA MAN 0.04007 0.40331 4.03226
86 4XZ3 COA 0.009041 0.40243 4.03226
87 1LSS NAD 0.0007541 0.45561 4.28571
88 4PVD NDP 0.00000004166 0.60887 4.43548
89 1E5Q NDP 0.0002696 0.44919 4.43548
90 5T9F TYR 0.0008818 0.42324 4.43548
91 5T9F NAP 0.001088 0.41866 4.43548
92 4OBW SAM 0.008115 0.41653 4.43548
93 1P0F NAP 0.001245 0.41021 4.43548
94 5HTX ADP 0.0264 0.4091 4.43548
95 4JK3 NAD 0.00416 0.40824 4.43548
96 1S20 TLA 0.01924 0.40553 4.43548
97 3L4S NAD 0.003065 0.40082 4.43548
98 3IIJ ADP 0.02806 0.40772 4.44444
99 2VDV SAM 0.004444 0.43999 4.47154
100 2DC1 NAD 0.001244 0.42632 4.66102
101 4OOE NDP 0.0005935 0.4422 4.83871
102 1GUZ NAD 0.0005619 0.43682 4.83871
103 5H81 NAP 0.001688 0.43672 4.83871
104 4YCA NDP 0.003162 0.41303 4.83871
105 3A06 FOM 0.002177 0.40755 4.83871
106 3A06 NDP 0.002158 0.40531 4.83871
107 2EJU SAH 0.01816 0.40045 4.83871
108 2X6T NAP 0.000000554 0.5218 5.04202
109 1U4J MAN 0.04629 0.40003 5.08475
110 3LU1 NAD 0.00000001493 0.60839 5.24194
111 2C5A GDC 0.0000002298 0.45298 5.24194
112 2C5A NAD 0.0000002298 0.45298 5.24194
113 2F1K NAP 0.0003913 0.44946 5.24194
114 4DPL NAP 0.0004253 0.43842 5.24194
115 3A4T SFG 0.002139 0.43228 5.24194
116 1KYQ NAD 0.006492 0.42445 5.24194
117 3BY9 SIN 0.04715 0.40642 5.24194
118 5A0U CHT 0.04551 0.40036 5.24194
119 2GZ3 NAP 0.0002234 0.45769 5.64516
120 2I3G NAP 0.000267 0.44302 5.64516
121 3QDK QDK 0.01331 0.43015 5.64516
122 5JE8 NAD 0.003709 0.41301 5.64516
123 5KOK SAH 0.008629 0.4121 5.64516
124 4JBI NDP 0.007665 0.4001 5.64516
125 1VM6 NAD 0.004632 0.40906 5.70175
126 3I6I NDP 0.0001187 0.42887 6.04839
127 5F8F SFG 0.007397 0.4254 6.04839
128 1N7G GDR 0.000003384 0.41881 6.04839
129 3T7S SAM 0.01176 0.40913 6.04839
130 4KRG SAH 0.01974 0.4018 6.04839
131 1QAN SAH 0.0042 0.41963 6.45161
132 3GFB NAD 0.001982 0.41833 6.45161
133 3VSE SAH 0.02568 0.4061 6.45161
134 3GCZ SAM 0.01428 0.40525 6.73759
135 1RPN NDP 0.0000003949 0.5217 6.85484
136 5CAE COA 0.001485 0.43242 6.85484
137 2JJQ SAH 0.01167 0.41951 6.85484
138 1M2W NAD 0.006481 0.40857 6.85484
139 1NVM NAD 0.001291 0.40711 6.85484
140 1T9D P22 0.04227 0.40589 6.85484
141 5MPT SAH 0.001868 0.44573 7.25806
142 4LWP SAH 0.01043 0.41152 7.25806
143 5E8J SAH 0.01853 0.40966 7.25806
144 3JV7 NAD 0.002439 0.40947 7.25806
145 1DJN ADP 0.007836 0.40507 7.25806
146 3NJ4 AFX 0.02935 0.4034 7.25806
147 3NJ4 NAD 0.02954 0.40328 7.25806
148 1EZ4 NAD 0.0002829 0.45512 7.66129
149 5L95 AMP 0.001275 0.44937 7.66129
150 1WDK NAD 0.000768 0.44782 7.66129
151 4RDH AMP 0.006514 0.42803 7.66129
152 1MUU NAD 0.004115 0.41116 7.66129
153 2FR1 NDP 0.000000009091 0.60507 7.81893
154 1I2B USQ 0.002606 0.45027 7.92079
155 1I2B NAD 0.002606 0.45027 7.92079
156 1I2B UPG 0.002606 0.45027 7.92079
157 5MSO NAP 0.000000001435 0.59446 8.06452
158 2YY7 NAD 0.0000000833 0.55629 8.06452
159 4D79 ATP 0.001673 0.44793 8.06452
160 1J49 NAD 0.00412 0.40323 8.06452
161 3TWO NDP 0.002831 0.40218 8.06452
162 5IL1 SAM 0.01618 0.40276 8.33333
163 3MJE NDP 0.00000000005956 0.69993 8.46774
164 1GY8 NAD 0.000000157 0.54578 8.46774
165 5JAQ NAI 0.00001222 0.49489 8.46774
166 1I36 NAP 0.002673 0.4281 8.46774
167 1KYZ SAH 0.009878 0.41592 8.46774
168 4GGZ BTN 0.03352 0.40025 8.69565
169 3B20 NAD 0.0007282 0.44528 8.87097
170 2D2I NAP 0.001327 0.43776 8.87097
171 5UAV TFB 0.0006797 0.4262 9.67742
172 5UAV NDP 0.0006797 0.4262 9.67742
173 3GU3 SAH 0.008905 0.43334 9.85915
174 1TI7 NAP 0.001345 0.44456 10.0806
175 2VUT NAD 0.001519 0.44224 10.0806
176 1BW9 NAD 0.002557 0.42894 10.8871
177 1C1X NAD 0.001879 0.42211 10.8871
178 5H6S HDH 0.03205 0.41481 10.8871
179 2ZWA SAH 0.007749 0.40813 10.8871
180 1HDO NAP 0.000002655 0.50461 11.165
181 1LDN NAD 0.0008447 0.41353 11.2903
182 4ZRN NAD 0.00000002545 0.5756 11.6935
183 4ZRN UPG 0.0000002464 0.46761 11.6935
184 5MDH NAD 0.0006823 0.4366 11.6935
185 4MDH NAD 0.001114 0.4282 11.6935
186 1NVT NAP 0.002727 0.42143 11.6935
187 5ULP KB1 0.00482 0.41114 11.9403
188 1MV8 NAD 0.002383 0.41797 12.0968
189 2GCG NDP 0.00133 0.40347 12.0968
190 4PIV NDP 0.0000005099 0.5451 12.2727
191 1LUA NAP 0.003225 0.42787 12.5
192 5IN4 NAP 0.00001416 0.56056 12.9032
193 5IN4 6CK 0.00001386 0.56056 12.9032
194 5IN4 GDP 0.00001507 0.55812 12.9032
195 1OAA OAA 0.000005069 0.55502 12.9032
196 3GGO NAI 0.0009182 0.42711 13.0573
197 3GGO ENO 0.0009182 0.42711 13.0573
198 2C29 NAP 0.0000003437 0.48775 13.3065
199 2C29 DQH 0.000001063 0.4741 13.3065
200 2CUN 3PG 0.02351 0.4201 13.3065
201 2HJ9 AI2 0.03239 0.41405 14.0271
202 4QTU SAM 0.00284 0.43378 14.8148
203 4GLL NAD 0.00000004469 0.56978 14.9194
204 4FZV SAM 0.003117 0.42852 15.3226
205 2Q46 NAP 0.000000141 0.57648 15.7258
206 2Q1W NAD 0.0000004485 0.53799 15.7258
207 1OMO NAD 0.008262 0.40138 15.7258
208 2G5C NAD 0.002888 0.40666 16.129
209 1UWK NAD 0.001173 0.42716 16.5323
210 1UWK URO 0.001173 0.42716 16.5323
211 1Y1P NMN AMP PO4 0.0000002877 0.59282 18.5484
212 3O26 NDP 0.00000000001034 0.72895 19.3548
213 5FA5 MTA 0.0111 0.41696 20
214 5L4S NAP 0.0000000001605 0.67267 20.1613
215 5L4S 6KX 0.0000000001605 0.67267 20.1613
216 4J1Q NDP 0.00000001518 0.56675 20.1613
217 2DKN NAI 0.0000000000002559 0.73252 20.5645
218 5H4I 7HQ 0.03608 0.40676 20.7547
219 4II2 ATP 0.007447 0.41186 22.8916
220 1ORR NAD 0.00000002756 0.58205 22.9839
221 2PZM UDP 0.000009309 0.5047 22.9839
222 2PZM NAD 0.000009309 0.5047 22.9839
223 2EXX NAP 0.000006042 0.49161 25.4032
224 4TQG NDP 0.0000000004522 0.62438 26.2097
225 3RFV NAI 0.002098 0.42752 26.6129
226 3RFV 15L 0.002872 0.42066 26.6129
227 1EK6 NAI 0.0000003101 0.45225 27.0161
228 1EK6 UPG 0.000001116 0.43225 27.0161
229 1N5D NDP 0.00000000009933 0.65847 27.4194
230 1V35 NAI 0.003055 0.4367 29.0323
231 3RJ5 NAD 0.000000000624 0.60186 29.4355
232 1OC2 TDX 0.000002437 0.42418 29.4355
233 1OC2 NAD 0.000002437 0.42418 29.4355
234 3A4V PYR 0.00000007675 0.54664 29.8387
235 3A4V NAD 0.00000007675 0.54664 29.8387
236 1BXK NAD 0.0000001105 0.58058 31.4516
237 3ORF NAD 0.000000548 0.55361 33.0677
238 3CH6 NAP 0.0000000000209 0.74617 34.2742
239 3CH6 311 0.0000000000209 0.74617 34.2742
240 1KEW TYD 0.000001564 0.44516 34.2742
241 1KEW NAD 0.000003207 0.43459 34.2742
242 3WXB NDP 0.00000000001955 0.71089 35.8871
243 4J7U NAP 0.00000000006171 0.69873 35.8871
244 4J7U YTZ 0.00000000006171 0.69873 35.8871
245 4K26 NDP 0.000000000002657 0.74343 37.0968
246 4K26 SFF 0.00000000001368 0.64323 37.0968
247 1XSE NDP 0.00000000000141 0.75606 37.5
248 1Z6Z NAP 0.00000000003379 0.66945 37.5
249 1GZ6 NAI 0.00000001192 0.60633 38.3064
250 2GDZ NAD 0.000002843 0.54465 38.7097
251 2BD0 NAP 0.0000000000000584 0.78031 40.1639
252 1W73 NAP 0.00000000000888 0.77416 41.129
253 1W8D NAP 0.000000000006289 0.65015 41.129
254 1WMA NDP 0.0000000002615 0.57792 41.5323
255 1WMA AB3 0.0000000002615 0.57792 41.5323
256 1ZBQ NAD 0.000000002797 0.62399 41.9355
257 3RKR NAP 0.001572 0.40261 43.5484
258 1W6U NAP 0.000000000002884 0.79446 43.9516
259 5L53 NAP 0.00000000001577 0.62405 44.3548
260 3VZS NAP 0.00000000004111 0.59615 45.9677
261 3VZS CAA 0.0000000007414 0.47901 45.9677
262 2WD7 NAP 0.0000000008193 0.61408 46.371
263 1O5I NAD 0.0000000006845 0.73021 46.5863
264 4CLO NAP 0.0000000003303 0.68571 46.7742
265 4CME NAP 0.0000000003441 0.67782 46.7742
266 4CM4 NAP 0.0000000004973 0.67162 46.7742
267 3JQA NAP 0.0000000007921 0.67072 46.7742
268 4CM8 NAP 0.000000000588 0.66879 46.7742
269 3JQ8 NAP 0.0000000003973 0.66848 46.7742
270 3BMN NAP 0.0000000004113 0.66791 46.7742
271 3JQF NAP 0.0000000004671 0.6658 46.7742
272 3JQB NAP 0.000000001108 0.66497 46.7742
273 3JQG NAP 0.000000001177 0.66393 46.7742
274 4CMI NAP 0.0000000009794 0.6602 46.7742
275 3JQ7 NAP 0.000000001509 0.65968 46.7742
276 4CM9 NAP 0.000000000251 0.63759 46.7742
277 3BMQ NAP 0.0000000003482 0.63293 46.7742
278 3JQ9 NAP 0.0000000007335 0.62131 46.7742
279 3BMO NAP 0.0000000006005 0.61838 46.7742
280 4CLR NAP 0.0000000007371 0.61547 46.7742
281 4CME KTZ 0.01647 0.41965 46.7742
282 3QWI NAP 0.000000000005269 0.72466 47.1774
283 1FK8 NAD 0.000000000001302 0.68382 47.1774
284 3QWI CUE 0.00000000002643 0.62018 47.1774
285 2DTX BMA 0.00000818 0.54089 47.1774
286 3ICC NAP 0.000001405 0.56067 47.5806
287 1UZN NAP 0.0001664 0.45004 47.5806
288 1H5Q NAP 0.000000000002671 0.74335 47.9839
289 3H4V DVP 0.0000000009048 0.65474 47.9839
290 3H4V NAP 0.000000003195 0.63227 47.9839
291 3V1U NAD 0.00009214 0.47744 47.9839
292 1GEG NAD 0.000000000001902 0.757 48.3871
293 2ZAT NAP 0.000000000006677 0.73619 48.3871
294 3O03 NAP 0.0006874 0.44504 48.3871
295 1U7T NAD 0.0000000000006037 0.79371 48.7903
296 4FC7 COA 0.00000000006312 0.69836 48.7903
297 4FC7 NAP 0.00000000006312 0.69836 48.7903
298 1U7T TDT 0.000000000006498 0.63743 48.7903
299 2B4Q NAP 0.00001797 0.51275 49.1936
300 1E6W NAD 0.0000000000008381 0.77058 49.5968
301 1E3W NAD 0.000000000001328 0.76295 49.5968
302 1XKQ NDP 0.000000000001832 0.73397 49.5968
303 5ITV NAI 0.00000000000008815 0.7655 50
304 3D3W NAP 0.000000000003093 0.7257 50
305 2CFC NAD 0.0000000000004453 0.72527 50
306 1PR9 NAP 0.000001522 0.56111 50
307 1HDC CBO 0.00004324 0.40707 50
Pocket No.: 2; Query (leader) PDB : 5T2U; Ligand: NAP; 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: 5t2u.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5T2U; Ligand: NAP; 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: 5t2u.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5T2U; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5t2u.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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