Receptor
PDB id Resolution Class Description Source Keywords
5EPO 2 Å EC: 1.-.-.- THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSONUM 7ALPH HYDROXYSTEROID DEHYDROGENASE CLOSTRIDIUM SARDINIENSE OXIDOREDUCTASE ACTIVITY METABOLIC PROCESS OXIDOREDUCTASE
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSO ALPHA-HYDROXYSTEROID DEHYDROGENASE: NEW INSIGHTS IN CONSERVED ARGININES FOR NADP(H) RECOGNITION SCI REP V. 6 22885 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TUD B:302;
A:302;
C:302;
D:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
499.704 C26 H45 N O6 S C[C@H...
NAP A:301;
D:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
GOL C:303;
B:303;
A:303;
D:303;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EPO 2 Å EC: 1.-.-.- THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSONUM 7ALPH HYDROXYSTEROID DEHYDROGENASE CLOSTRIDIUM SARDINIENSE OXIDOREDUCTASE ACTIVITY METABOLIC PROCESS OXIDOREDUCTASE
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSO ALPHA-HYDROXYSTEROID DEHYDROGENASE: NEW INSIGHTS IN CONSERVED ARGININES FOR NADP(H) RECOGNITION SCI REP V. 6 22885 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5EPO - 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 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TUD; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 TUD 1 1
2 5D5 1 1
3 CHO 0.761364 0.657143
4 TCH 0.653061 0.985075
5 7CW 0.648148 0.620253
6 6SB 0.548077 1
7 1N7 0.491667 0.846154
8 GCH 0.485981 0.657143
9 CPS 0.483051 0.842105
Ligand no: 2; 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 : 5EPO; Ligand: NAP; 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: 5epo.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EPO; Ligand: TUD; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 5epo.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XK5 TPG 0.005956 0.43327 0.980392
2 3GGO ENO 0.03058 0.40136 2.29008
3 3GGO NAI 0.03058 0.40136 2.29008
4 3WGT FAD 0.02413 0.41043 2.67176
5 2ZCQ B65 0.0233 0.40711 2.67176
6 2C29 DQH 0.0007327 0.44901 3.05344
7 2XMY CDK 0.02951 0.41427 4.19847
8 2W3L DRO 0.0187 0.40585 4.86111
9 4WOE 3S5 0.007609 0.43655 5.34351
10 2X1L MET 0.008713 0.42285 5.72519
11 4DD8 BAT 0.01388 0.41176 5.76923
12 5BRP PNG 0.02647 0.40227 6.87023
13 1MJT NAD 0.009592 0.41862 8.77863
14 4BG4 ARG 0.007219 0.42799 9.54198
15 3HCN CHD 0.02814 0.40637 10.687
16 4PIV 2W4 0.001009 0.43836 11.0687
17 1FK8 NAD 0.01322 0.40111 16.3424
18 2DKN NAI 0.003366 0.43254 17.6471
19 4J7U YTZ 0.01726 0.41342 34.7328
20 4J7U NAP 0.01726 0.41342 34.7328
21 1XSE NDP 0.00001188 0.56267 37.0229
22 3CH6 NAP 0.00009148 0.53977 38.1679
23 3CH6 311 0.00009148 0.53977 38.1679
24 1ZMT RNO 0.01193 0.40849 39.7638
25 4D42 W0I 0.008678 0.4338 40.8397
26 4D42 NAP 0.008678 0.4338 40.8397
27 2PD4 DCN 0.02205 0.40165 43.5115
28 4FC7 COA 0.001974 0.45877 43.8931
29 4FC7 NAP 0.001974 0.45877 43.8931
30 2VZ0 NAP 0.04739 0.41071 45.4198
31 2VZ0 D64 0.04739 0.41071 45.4198
32 1QG6 NAD 0.01627 0.41554 46.3602
33 1QG6 TCL 0.01627 0.41554 46.3602
34 1NFQ NAI 0.003034 0.43863 49.2308
35 2WSB NAD 0.00001174 0.56292 49.6063
36 3AI3 SOL 0.000002821 0.48554 50
37 3AFN NAP 0.00383 0.43516 50
Pocket No.: 3; Query (leader) PDB : 5EPO; 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: 5epo.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5EPO; Ligand: TUD; 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: 5epo.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5EPO; Ligand: TUD; 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: 5epo.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5EPO; Ligand: NAP; Similar sites found: 186
This union binding pocket(no: 6) in the query (biounit: 5epo.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CJN QNZ 0.04597 0.40095 1.14504
2 2XVM SAH 0.008967 0.42146 1.50754
3 4NEC SAH 0.02385 0.40085 1.52672
4 1P77 ATR 0.04581 0.40072 1.52672
5 5LD5 NAD 0.007251 0.40281 1.9084
6 5XVQ SAH 0.007574 0.40202 1.9084
7 4HXY NDP 0.00000114 0.52457 2.29008
8 1RKX NAD 0.000004856 0.50102 2.29008
9 1J0X NAD 0.004358 0.41048 2.29008
10 3CMC NAD 0.01148 0.40829 2.29008
11 3GGO NAI 0.006945 0.40151 2.29008
12 3GGO ENO 0.006945 0.40151 2.29008
13 4GLL NAD 0.00002216 0.48576 2.67176
14 1EQ2 NAP 0.00002073 0.48344 2.67176
15 3V1Y NAD 0.0009222 0.43035 2.67176
16 2GZ3 NAP 0.00279 0.42273 2.67176
17 2FZW NAD 0.003535 0.41409 2.67176
18 1NYT NAP 0.003033 0.41268 2.67176
19 4L77 CNL 0.04256 0.40245 2.67176
20 3GP3 SEP 0.03362 0.40403 2.72374
21 4PVD NDP 0.00000127 0.54363 3.05344
22 5IN4 6CK 0.002675 0.46655 3.05344
23 5IN4 GDP 0.00292 0.46416 3.05344
24 5IN4 NAP 0.00306 0.46416 3.05344
25 2C29 NAP 0.000006022 0.44163 3.05344
26 5H81 NAP 0.001518 0.43464 3.05344
27 2C29 DQH 0.000017 0.42809 3.05344
28 2Q1W NAD 0.0003343 0.42448 3.05344
29 5T9F TYR 0.004116 0.40539 3.05344
30 1D1T NAD 0.00297 0.4023 3.05344
31 5T9F NAP 0.004769 0.4018 3.05344
32 2CBZ ATP 0.03402 0.41115 3.37553
33 1HDO NAP 0.00009265 0.44143 3.39806
34 4TQG NDP 0.000004506 0.50478 3.43511
35 3CIF NAD 0.001138 0.41491 3.43511
36 3B20 NAD 0.003949 0.4109 3.43511
37 3G2O SAM 0.01199 0.40517 3.43511
38 3CIF G3H 0.00417 0.40056 3.43511
39 4ISS TAR 0.04454 0.40622 3.81679
40 2VYN NAD 0.003093 0.40417 3.81679
41 4JBI NDP 0.005437 0.40245 3.81679
42 5GVR LMR 0.02664 0.40609 3.84615
43 1E1M NAP 0.01001 0.40341 4.19847
44 1E1M FAD 0.01001 0.40341 4.19847
45 2X6T NAP 0.00002498 0.48039 4.20168
46 1E5Q NDP 0.0007433 0.42788 4.58015
47 5MPT SAH 0.006886 0.41609 4.96183
48 3C0G 3AM 0.02239 0.40566 5.12821
49 4DPL NAP 0.001307 0.41572 5.29248
50 1GY8 NAD 0.00002053 0.48534 5.34351
51 1WDK NAD 0.00323 0.41752 5.34351
52 3QDK QDK 0.03435 0.41111 5.34351
53 1UWK URO 0.008027 0.4017 5.34351
54 1UWK NAD 0.008027 0.4017 5.34351
55 1E6E FAD 0.004666 0.40217 5.46875
56 4ZRN NAD 0.00002349 0.45985 5.72519
57 2B4R NAD 0.00165 0.4133 5.72519
58 1LLU NAD 0.002487 0.41038 5.72519
59 3KDM TES 0.02893 0.40873 5.77778
60 1BXK NAD 0.00005922 0.46992 6.10687
61 1TI7 NAP 0.0003609 0.46529 6.10687
62 2VUT NAD 0.0006364 0.45459 6.10687
63 3JV7 NAD 0.0009742 0.42052 6.10687
64 2I3G NAP 0.002539 0.4014 6.10687
65 2PZE ATP 0.02436 0.41886 6.11354
66 2YY7 NAD 0.00001436 0.4912 6.48855
67 5JAQ NAI 0.00007634 0.47524 6.48855
68 2PZM NAD 0.001434 0.42963 6.48855
69 2PZM UDP 0.001434 0.42963 6.48855
70 2FR1 NDP 0.000007533 0.4889 6.58436
71 1P0F NAP 0.003676 0.40141 6.87023
72 4LZB URA 0.0327 0.41394 7.14286
73 2HK9 ATR 0.002751 0.45547 7.63359
74 1RPN NDP 0.0001192 0.42853 7.63359
75 1Q8A HCS 0.02782 0.41394 7.63359
76 2HK9 NAP 0.004272 0.40396 7.63359
77 1CER NAD 0.002176 0.41558 8.01527
78 4XZ3 COA 0.005603 0.4075 8.01527
79 1JJ7 ADP 0.01732 0.42593 8.07692
80 5FI3 NAP 0.002956 0.40237 8.12325
81 4U7W NDP 0.0000004851 0.53577 8.39695
82 4EUE NAI 0.000004889 0.49575 8.39695
83 3A4V NAD 0.00003441 0.44916 8.39695
84 3A4V PYR 0.00003441 0.44916 8.39695
85 1ORR NAD 0.0001038 0.44428 8.39695
86 1V35 NAI 0.01443 0.41453 8.39695
87 3TWO NDP 0.003501 0.40586 8.39695
88 5X2N ALA 0.04055 0.40488 8.77863
89 1M2W NAD 0.007257 0.40567 9.16031
90 1EYQ NAR 0.002165 0.46592 9.90991
91 2Q46 NAP 0.00006889 0.46741 10.2767
92 3MJE NDP 0.00000027 0.55437 10.4839
93 2QES ADE 0.02632 0.41176 10.728
94 4PIV NDP 0.000006432 0.49658 11.0687
95 1KYZ SAH 0.01323 0.40641 11.0687
96 3ABI NAD 0.0002969 0.43994 11.4504
97 2DBZ NAP 0.0007531 0.42766 11.6766
98 1NVT NAP 0.006294 0.40258 12.892
99 5MSO NAP 0.000008071 0.48898 14.1221
100 4J1Q NDP 0.000006582 0.49451 14.5038
101 3LU1 NAD 0.00007407 0.46263 14.8855
102 1K3A ACP 0.02 0.40811 14.8855
103 1WMA AB3 0.000000003757 0.53126 15.6489
104 1WMA NDP 0.000000003757 0.53126 15.6489
105 1FK8 NAD 0.000000003324 0.60112 16.3424
106 4B1L FRU 0.01794 0.40936 16.3636
107 1N5D NDP 0.000000001311 0.64392 16.7939
108 2DKN NAI 0.0000000003787 0.655 17.6471
109 3I6I NDP 0.002279 0.41648 18.3206
110 5UAV TFB 0.001832 0.41789 19.8473
111 5UAV NDP 0.001832 0.41789 19.8473
112 4RF7 ARG 0.03396 0.4004 20.6107
113 3WXB NDP 0.000000001119 0.63431 22.9008
114 4O1M NAD 0.00000131 0.52856 23.6641
115 5L4S NAP 0.000000001744 0.65266 25.1908
116 5L4S 6KX 0.000000001744 0.65266 25.1908
117 3ORF NAD 0.00001015 0.49922 26.2948
118 2JJQ SAH 0.02437 0.4004 26.3359
119 4OHU 2TK 0.0000006843 0.42699 28.626
120 4OHU NAD 0.0000006843 0.42699 28.626
121 1Y1P NMN AMP PO4 0.000004855 0.5355 30.5344
122 4Q9N NAI 0.000001967 0.52384 30.916
123 2EXX NAP 0.0001701 0.43189 30.916
124 3RJ5 NAD 0.000000009253 0.54743 31.8898
125 3O26 NDP 0.0000000001208 0.68038 33.2061
126 1OAA OAA 0.000573 0.47757 33.5907
127 4J7U NAP 0.00000001951 0.62089 34.7328
128 4J7U YTZ 0.00000001951 0.62089 34.7328
129 1Z6Z NAP 0.00000001612 0.60042 34.7328
130 1XSE NDP 0.000000001601 0.66005 37.0229
131 4K26 NDP 0.000000002124 0.62403 37.4046
132 4K26 SFF 0.000000005674 0.54844 37.4046
133 3CH6 311 0.000000001989 0.68598 38.1679
134 3CH6 NAP 0.000000001989 0.68598 38.1679
135 2BD0 NAP 0.0000000001462 0.68254 39.7541
136 1E3W NAD 0.00000000122 0.64259 40.2299
137 4D42 W0I 0.000002143 0.54936 40.8397
138 4D42 NAP 0.000002143 0.54936 40.8397
139 2PD4 DCN 0.000001034 0.54172 43.5115
140 2PD4 NAD 0.000001203 0.53919 43.5115
141 4FC7 COA 0.0000001378 0.58734 43.8931
142 4FC7 NAP 0.0000001378 0.58734 43.8931
143 3H4V DVP 0.0000002839 0.57495 43.8931
144 3H4V NAP 0.0000008495 0.55466 43.8931
145 3OJF NDP 0.0000004821 0.51269 43.9689
146 3OJF IMJ 0.0000006427 0.47905 43.9689
147 2WYV NAD 0.00002213 0.48237 44.0613
148 1W73 NAP 0.0000001111 0.59764 44.2748
149 1W8D NAP 0.00000005535 0.55136 44.2748
150 5L53 NAP 0.000000008552 0.5634 44.6565
151 1W6U NAP 0.00000004253 0.61475 45.0382
152 3BMN NAP 0.0000001185 0.56782 45.4198
153 2VZ0 NAP 0.000003169 0.56496 45.4198
154 2VZ0 D64 0.000003169 0.56496 45.4198
155 4CM9 NAP 0.0000001589 0.56304 45.4198
156 3BMQ NAP 0.0000001618 0.56274 45.4198
157 4CLO NAP 0.0000003269 0.56155 45.4198
158 3JQ8 NAP 0.0000001904 0.56008 45.4198
159 4CME NAP 0.0000002833 0.55869 45.4198
160 3JQF NAP 0.0000002251 0.55734 45.4198
161 1ZEM NAD 0.000000633 0.5556 45.4198
162 4CM4 NAP 0.0000003603 0.55469 45.4198
163 4CM8 NAP 0.0000004022 0.55286 45.4198
164 4CMI NAP 0.0000004996 0.54926 45.4198
165 3JQ9 NAP 0.0000003895 0.54838 45.4198
166 3JQG NAP 0.0000009805 0.54298 45.4198
167 3BMO NAP 0.000000414 0.54248 45.4198
168 3JQ7 NAP 0.00000104 0.54198 45.4198
169 3JQB NAP 0.000001098 0.54106 45.4198
170 2WD7 NAP 0.0000004881 0.53989 45.4198
171 4CLR NAP 0.0000004907 0.53978 45.4198
172 3JQA NAP 0.0000009138 0.52471 45.4198
173 1GZ6 NAI 0.000002694 0.51025 45.8015
174 3OIG NAD 0.03303 0.41043 45.8015
175 2Q2V NAD 0.0000000001015 0.65115 46.2745
176 1QG6 TCL 0.000001171 0.55205 46.3602
177 1QG6 NAD 0.000001171 0.55205 46.3602
178 2AE2 NAP 0.00000000005139 0.60249 46.5385
179 2AE2 PTO 0.00000000005139 0.60249 46.5385
180 4ZA2 NAD 0.000000001681 0.63123 46.6403
181 3V1U NAD 0.005488 0.41483 47.3282
182 1ZBQ NAD 0.0000002616 0.54036 47.7099
183 3D3W NAP 0.0000000004317 0.66711 47.9508
184 1NFQ NAI 0.0000000001175 0.68614 49.2308
185 2WSB NAD 0.000000008538 0.63153 49.6063
186 3OID NDP 0.0000000005847 0.66208 49.6124
187 3AFN NAP 0.00000000009802 0.69167 50
188 1X1T NAD 0.005726 0.45158 50
Pocket No.: 7; Query (leader) PDB : 5EPO; Ligand: NAP; 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: 5epo.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5EPO; Ligand: TUD; 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: 5epo.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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