Receptor
PDB id Resolution Class Description Source Keywords
5GT9 1.7 Å EC: 1.-.-.- THE X-RAY STRUCTURE OF 7BETA-HYDROXYSTEROID DEHYDROGENASE COLLINSELLA AEROFACIENS ATCC 25986 SHORT CHAIN DEHYDROGENASE STEROID SUBSTRATES OXIDOREDUCTAS
Ref.: STRUCTURE OF NADP(+)-BOUND 7 BETA-HYDROXYSTEROID DEHYDROGENASE REVEALS TWO COFACTOR-BINDING MODES ACTA CRYSTALLOGR F STRUCT V. 73 246 2017 BIOL COMMUN
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:301;
B:301;
Valid;
Valid;
none;
none;
Ka = 44700 M^-1
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GT9 1.7 Å EC: 1.-.-.- THE X-RAY STRUCTURE OF 7BETA-HYDROXYSTEROID DEHYDROGENASE COLLINSELLA AEROFACIENS ATCC 25986 SHORT CHAIN DEHYDROGENASE STEROID SUBSTRATES OXIDOREDUCTAS
Ref.: STRUCTURE OF NADP(+)-BOUND 7 BETA-HYDROXYSTEROID DEHYDROGENASE REVEALS TWO COFACTOR-BINDING MODES ACTA CRYSTALLOGR F STRUCT V. 73 246 2017 BIOL COMMUN
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5GT9 Ka = 44700 M^-1 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 5GT9 Ka = 44700 M^-1 NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 5GT9 Ka = 44700 M^-1 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 : 5GT9; Ligand: NAP; Similar sites found: 459
This union binding pocket(no: 1) in the query (biounit: 5gt9.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.00709 0.4414 None
2 2BOS GLA GAL GLC 0.008917 0.43481 None
3 1O6Z NAD 0.0002139 0.42104 0.380228
4 5THY SAH 0.00229 0.43181 1.14068
5 3VPH NAD 0.0005217 0.41999 1.14068
6 3VPH OXM 0.0008549 0.40477 1.14068
7 3EGI ADP 0.02978 0.41198 1.45631
8 1ZQ9 SAM 0.004268 0.42681 1.52091
9 5DN9 NAD 0.0003704 0.42556 1.52091
10 3JV7 NAD 0.001083 0.42022 1.52091
11 4XQC NAD 0.0001585 0.40223 1.52091
12 1GY8 NAD 0.0000005787 0.53918 1.90114
13 1KYQ NAD 0.00006381 0.51498 1.90114
14 2I3G NAP 0.000317 0.43732 1.90114
15 2B4R NAD 0.0003557 0.43546 1.90114
16 2EXX NAP 0.000184 0.43298 1.90114
17 3A06 FOM 0.001009 0.42514 1.90114
18 3A06 NDP 0.0009643 0.42339 1.90114
19 5XVK SAH 0.002606 0.42277 1.90114
20 2PT9 2MH 0.001257 0.41904 1.90114
21 4CJX NAP 0.0025 0.41743 1.90114
22 2B4R AES 0.00092 0.41713 1.90114
23 4R78 AMP 0.0223 0.41455 1.90114
24 4RSL FAD 0.0003753 0.41403 1.90114
25 2CVZ NDP 0.0029 0.41198 1.90114
26 2EV9 SKM 0.001453 0.4085 1.90114
27 2EV9 NAP 0.001453 0.4085 1.90114
28 2Z5Y HRM 0.03106 0.40699 1.90114
29 3TLJ SAH 0.008105 0.40488 1.90114
30 1KYZ SAH 0.01598 0.4038 1.90114
31 4JK3 NAD 0.0009318 0.4316 1.9305
32 4J4H NAI 0.003853 0.41294 1.9305
33 4J4H 1J1 0.003853 0.41294 1.9305
34 1IV2 CDP 0.01715 0.40902 1.97368
35 3A4V NAD 0.000001711 0.49354 2.28137
36 3A4V PYR 0.000001711 0.49354 2.28137
37 4D79 ATP 0.0006424 0.46413 2.28137
38 2GLX NDP 0.001754 0.42677 2.28137
39 5XVQ SAH 0.0021 0.42671 2.28137
40 2EG5 SAH 0.01032 0.41974 2.28137
41 3WLE NAD 0.0002763 0.41803 2.28137
42 1X9I G6Q 0.01382 0.4173 2.28137
43 4L8V NAP 0.001517 0.4091 2.28137
44 2EJU SAH 0.01366 0.4038 2.28137
45 2XVM SAH 0.0002704 0.49628 2.51256
46 1RPN NDP 0.000002344 0.4875 2.6616
47 3GU3 SAH 0.008134 0.43294 2.6616
48 3G2O SAM 0.003231 0.4323 2.6616
49 1GUZ NAD 0.0008318 0.42745 2.6616
50 3M89 GSP 0.01389 0.41718 2.6616
51 4FOJ C2E 0.0122 0.41266 2.6616
52 4N49 SAM 0.006605 0.41172 2.6616
53 2OBM ADP 0.03534 0.40797 2.6616
54 5KOK SAH 0.009544 0.40775 2.6616
55 1K2V DEF 0.02662 0.40669 2.6616
56 4KRI SAH 0.01049 0.40591 2.6616
57 3CEV ARG 0.03985 0.40127 2.6616
58 5OFW 9TW 0.007429 0.44712 2.69058
59 3EW2 BTN 0.02749 0.40596 2.96296
60 4Z28 BTN 0.02974 0.40421 2.98507
61 1BXK NAD 0.0000007633 0.54421 3.04183
62 1Y1P NMN AMP PO4 0.000006351 0.53246 3.04183
63 4D3F NAP 0.0006838 0.45086 3.04183
64 3OA2 NAD 0.0003498 0.44192 3.04183
65 1OMO NAD 0.001537 0.42914 3.04183
66 5DOZ NDP 0.0004164 0.42406 3.04183
67 1TUU ADP 0.0197 0.42164 3.04183
68 2O4C NAD 0.001089 0.41739 3.04183
69 1P31 EPU 0.006928 0.41725 3.04183
70 1D4D FAD 0.002569 0.41708 3.04183
71 1U1I NAD 0.0006835 0.4131 3.04183
72 3L9W AMP 0.001541 0.41178 3.04183
73 1G55 SAH 0.008033 0.41109 3.04183
74 1V8B NAD 0.002948 0.40742 3.04183
75 4TXI FAD 0.001685 0.40628 3.04183
76 3L9W GSH 0.003064 0.40567 3.04183
77 1NY5 ADP 0.01629 0.40342 3.04183
78 4MIG G3F 0.008568 0.40087 3.04183
79 1QG6 TCL 0.000002614 0.53388 3.06513
80 1QG6 NAD 0.000002614 0.53388 3.06513
81 5N53 8NB 0.008485 0.44349 3.07692
82 1VE3 SAM 0.01045 0.40911 3.0837
83 5FTW SAH 0.002582 0.42953 3.125
84 2VT3 ATP 0.0006418 0.48333 3.25581
85 4FZV SAM 0.008044 0.40797 3.34728
86 4U7W NDP 0.0000002077 0.57131 3.42205
87 4O1M NAD 0.00000008315 0.56595 3.42205
88 1ORR NAD 0.0000003513 0.53393 3.42205
89 2HK9 ATR 0.0007645 0.48498 3.42205
90 5JE8 NAD 0.0003574 0.45164 3.42205
91 4YCA NDP 0.0008863 0.43247 3.42205
92 5KVS NAP 0.001562 0.42885 3.42205
93 2HK9 NAP 0.001112 0.42854 3.42205
94 5M67 NAD 0.002981 0.4191 3.42205
95 5M67 ADE 0.003069 0.4186 3.42205
96 5M67 3D1 0.003456 0.41655 3.42205
97 2A92 NAI 0.001459 0.41401 3.42205
98 1SC6 NAD 0.001531 0.41323 3.42205
99 3RFV NAI 0.00652 0.41239 3.42205
100 1X7D NAD 0.001089 0.41184 3.42205
101 4FFG 0U8 0.01787 0.41175 3.42205
102 1X7D ORN 0.002455 0.41158 3.42205
103 1XNG ATP 0.009991 0.41001 3.42205
104 5FA5 MTA 0.01388 0.40998 3.42205
105 3GCZ SAM 0.01135 0.40748 3.42205
106 3VSE SAH 0.02247 0.40677 3.42205
107 3TTN SPD 0.04169 0.40461 3.42205
108 5KL0 G16 0.03558 0.40388 3.42205
109 5LOG SAH 0.009074 0.40873 3.43348
110 2HNK SAH 0.00952 0.40477 3.76569
111 4PIV NDP 0.00000009893 0.56771 3.80228
112 2F1K NAP 0.00006406 0.47786 3.80228
113 5LD5 NAD 0.0001667 0.4729 3.80228
114 3V1Y NAD 0.0001068 0.46902 3.80228
115 3GGO NAI 0.0005764 0.44027 3.80228
116 3GGO ENO 0.0005764 0.44027 3.80228
117 2PV7 NAD 0.0005047 0.43894 3.80228
118 4DPL NAP 0.0004572 0.43438 3.80228
119 5AHO TLA 0.01054 0.43081 3.80228
120 1GQ2 NAP 0.0008171 0.42775 3.80228
121 2C5A GDC 0.000001934 0.42683 3.80228
122 2C5A NAD 0.000001934 0.42683 3.80228
123 3L4S NAD 0.0005775 0.42235 3.80228
124 2G5C NAD 0.001198 0.41856 3.80228
125 3L4S 3PG 0.0006287 0.41674 3.80228
126 4R8L ASP 0.02696 0.41022 3.80228
127 4KRG SAH 0.01468 0.40552 3.80228
128 1VM6 NAD 0.001881 0.42243 3.94737
129 5D9G GLU ASN LEU TYR PHE GLN 0.02601 0.41104 4.06504
130 3DXY SAM 0.0224 0.40683 4.12844
131 4PVD NDP 0.000002008 0.53767 4.18251
132 5MPT SAH 0.0009788 0.45584 4.18251
133 1E5Q NDP 0.0002917 0.44495 4.18251
134 2UYQ SAM 0.007298 0.44264 4.18251
135 1MV8 NAD 0.0004992 0.44239 4.18251
136 4MDH NAD 0.0004982 0.43916 4.18251
137 1PL6 572 0.0003276 0.43826 4.18251
138 5MDH NAD 0.0006131 0.43564 4.18251
139 4OOE NDP 0.000777 0.43474 4.18251
140 3T7S SAM 0.003169 0.43269 4.18251
141 2DFV NAD 0.0002588 0.42956 4.18251
142 1PL6 NAD 0.00004893 0.42861 4.18251
143 1MUU NAD 0.001782 0.42339 4.18251
144 3VYW SAM 0.007757 0.40866 4.18251
145 3GWZ SAH 0.01915 0.40669 4.18251
146 1E3I CXF 0.000658 0.40607 4.18251
147 2Q0L NAP 0.01697 0.40583 4.18251
148 2XVE FAD 0.01001 0.40545 4.18251
149 2GJP MAL 0.02268 0.40517 4.18251
150 3I6I NDP 0.0004533 0.40403 4.18251
151 3GXO SAH 0.02037 0.40204 4.18251
152 2WH8 II2 0.04034 0.40099 4.18251
153 1EK6 NAI 0.0000174 0.40076 4.18251
154 2GCG NDP 0.00414 0.40064 4.18251
155 2PXX SAH 0.008437 0.41014 4.18605
156 1JJ7 ADP 0.02531 0.40403 4.23077
157 1X14 NAD 0.00669 0.4214 4.2394
158 2DT5 NAD 0.0009267 0.42565 4.2654
159 4IF4 BEF 0.02502 0.41405 4.32692
160 1N5D NDP 0.00000005526 0.57712 4.56274
161 1WMA AB3 0.0000001141 0.49436 4.56274
162 1WMA NDP 0.0000001141 0.49436 4.56274
163 1BW9 NAD 0.0002836 0.4672 4.56274
164 3GFB NAD 0.0004488 0.44093 4.56274
165 1C1X NAD 0.0005701 0.44009 4.56274
166 1I36 NAP 0.001353 0.43818 4.56274
167 1LDN NAD 0.0003629 0.43514 4.56274
168 1ZH8 NAP 0.0006673 0.4342 4.56274
169 3NJ4 NAD 0.008483 0.43086 4.56274
170 3NJ4 AFX 0.009218 0.42926 4.56274
171 4RQU NAD 0.0007614 0.42893 4.56274
172 1J0X NAD 0.001406 0.4273 4.56274
173 4OHU 2TK 0.000001655 0.42571 4.56274
174 4OHU NAD 0.000001655 0.42571 4.56274
175 1HYH NAD 0.0008229 0.42191 4.56274
176 1BXG NAD 0.0004425 0.41757 4.56274
177 1TI7 NAP 0.005043 0.41684 4.56274
178 4R5M NAP 0.00177 0.41484 4.56274
179 1YS4 NAP 0.0002461 0.41223 4.56274
180 4J36 1HR 0.003515 0.41176 4.56274
181 3OIG NAD 0.03466 0.40766 4.56274
182 4J36 FAD 0.00245 0.40687 4.56274
183 3PT9 SAH 0.01219 0.40606 4.56274
184 1Y8Q ATP 0.005835 0.40522 4.56274
185 4R5M 4NO 0.002647 0.40303 4.56274
186 1OC2 TDX 0.00001617 0.40139 4.56274
187 1OC2 NAD 0.00001617 0.40139 4.56274
188 5IN4 6CK 0.0001973 0.51556 4.67033
189 5IN4 NAP 0.0002009 0.51556 4.67033
190 5IN4 GDP 0.0002177 0.51289 4.67033
191 4RDH AMP 0.002144 0.44846 4.86111
192 2VDV SAM 0.001221 0.46463 4.87805
193 4GLL NAD 0.000000634 0.53966 4.94297
194 5MSO NAP 0.0000002779 0.53221 4.94297
195 2FZW NAD 0.0008528 0.43578 4.94297
196 1WP4 NDP 0.0006582 0.43443 4.94297
197 5JGL SAM 0.00682 0.42101 4.94297
198 2ZWA SAH 0.003548 0.42026 4.94297
199 4ONQ SFG 0.007815 0.41486 4.94297
200 1OJ4 CDM 0.01629 0.41374 4.94297
201 3Q60 ATP 0.01241 0.41231 4.94297
202 4XYB NDP 0.0007016 0.41181 4.94297
203 1L1E SAH 0.01137 0.40745 4.94297
204 1FEC FAD 0.005693 0.40624 4.94297
205 5UAO FAD 0.003839 0.40524 4.94297
206 5GM1 SAH 0.008144 0.40195 4.94297
207 2Y6Q I7T 0.006458 0.40408 5.02513
208 2Y6Q FAD 0.002881 0.40296 5.02513
209 3WV8 ATP 0.00007489 0.5014 5.04587
210 2Q46 NAP 0.00000005846 0.58711 5.13834
211 3ORF NAD 0.000001334 0.5349 5.32319
212 4ZRN NAD 0.0000003549 0.52718 5.32319
213 4ZRN UPG 0.000001124 0.44567 5.32319
214 4GKV NAD 0.0001618 0.43383 5.32319
215 2CVQ NDP 0.001202 0.4213 5.32319
216 4KP7 NAP 0.00253 0.42105 5.32319
217 1YKF NAP 0.001057 0.42062 5.32319
218 4KP7 1UQ 0.002494 0.41758 5.32319
219 2E5V FAD 0.005958 0.40279 5.32319
220 5IRN ADP 0.0199 0.40253 5.32319
221 3A4T SFG 0.01042 0.40018 5.32319
222 1FNN ADP 0.01643 0.40015 5.32319
223 1SQL GUN 0.04185 0.4066 5.47945
224 1RKX NAD 0.0000004048 0.54495 5.70342
225 1I2B NAD 0.01017 0.42886 5.70342
226 1I2B USQ 0.01017 0.42886 5.70342
227 1I2B UPG 0.01017 0.42886 5.70342
228 1D1T NAD 0.0004538 0.42701 5.70342
229 1KEW NAD 0.00001166 0.4162 5.70342
230 1KEW TYD 0.00002749 0.4082 5.70342
231 5FJN BE2 0.005543 0.40583 5.70342
232 5FJN FAD 0.004714 0.40583 5.70342
233 3QVP FAD 0.005351 0.40462 5.70342
234 2R5V HHH 0.02598 0.40361 5.70342
235 4TQG NDP 0.00000001495 0.58824 6.08365
236 2PZM NAD 0.00001674 0.50241 6.08365
237 2PZM UDP 0.00001674 0.50241 6.08365
238 3O7W SAM 0.001882 0.45555 6.08365
239 3NV6 CAM 0.004718 0.43272 6.08365
240 1CDO NAD 0.003698 0.40777 6.08365
241 4DMG SAM 0.02373 0.40558 6.08365
242 3QV1 NAD 0.0001434 0.46769 6.09756
243 4HXY NDP 0.000000008898 0.60661 6.16438
244 1FK8 NAD 0.000000000007627 0.76214 6.22568
245 1EYQ NAR 0.02692 0.41026 6.30631
246 1UKG MMA 0.0392 0.40187 6.34921
247 1LSS NAD 0.001324 0.44219 6.42857
248 1CER NAD 0.0000721 0.47581 6.46388
249 3ABI NAD 0.00008785 0.46146 6.46388
250 1WDK NAD 0.0005194 0.45219 6.46388
251 3CIF NAD 0.0001372 0.44369 6.46388
252 2VYN NAD 0.0003987 0.43973 6.46388
253 2JJQ SAH 0.004667 0.43646 6.46388
254 2JK0 ASP 0.0118 0.43356 6.46388
255 3CIF G3H 0.001055 0.42318 6.46388
256 5DNC ASN 0.02488 0.41205 6.46388
257 4PNE SAH 0.004067 0.41465 6.62252
258 1JG3 ADN 0.0106 0.40884 6.80851
259 4FOU C2E 0.0108 0.42262 6.83761
260 4EUE NAI 0.0000003396 0.5409 6.84411
261 3LU1 NAD 0.000001939 0.52408 6.84411
262 5E8J SAH 0.0003058 0.4937 6.84411
263 1X87 NAD 0.0009873 0.44048 6.84411
264 1NYT NAP 0.001684 0.42438 6.84411
265 4IDC 1XX 0.001835 0.41159 6.84411
266 4IDC NDP 0.001835 0.41159 6.84411
267 1N4W FAD 0.003875 0.4101 6.84411
268 1QO8 FAD 0.00404 0.40844 6.84411
269 3W6G FLC 0.04285 0.40481 6.94444
270 4NEC SAH 0.001791 0.45215 7.22433
271 1P77 ATR 0.006393 0.44779 7.22433
272 1SQF SAM 0.001546 0.44683 7.22433
273 5AYV KPL 0.0008496 0.42674 7.22433
274 2WPF FAD 0.00926 0.42215 7.22433
275 2WPF WPF 0.01009 0.42186 7.22433
276 5AYV NAP 0.0002446 0.41581 7.22433
277 1F8G NAD 0.005617 0.41171 7.22433
278 5CDH TLA 0.02067 0.405 7.22433
279 5JCM NAD 0.01429 0.40164 7.22433
280 5JCM ISD 0.01429 0.40164 7.22433
281 5JCM FAD 0.01381 0.40164 7.22433
282 3G89 SAM 0.001367 0.46227 7.22892
283 1INN MET 0.04221 0.40631 7.22892
284 5CAE COA 0.001187 0.43376 7.34824
285 4XZ3 COA 0.000764 0.44515 7.3913
286 4D42 W0I 0.00000134 0.55307 7.60456
287 4D42 NAP 0.00000134 0.55307 7.60456
288 1P0F NAP 0.0001186 0.45475 7.60456
289 2C29 NAP 0.00000263 0.45265 7.60456
290 3CMC NAD 0.0009028 0.45176 7.60456
291 2C29 DQH 0.0000109 0.43544 7.60456
292 2NAD NAD 0.0009712 0.42454 7.60456
293 5T9E NAP 0.0003503 0.42304 7.60456
294 5T9F TYR 0.0001787 0.42082 7.60456
295 1LLU NAD 0.0003784 0.42051 7.60456
296 5T9F NAP 0.0002503 0.42 7.60456
297 2YVJ NAI 0.006097 0.41977 7.60456
298 1NVT NAP 0.003064 0.41677 7.60456
299 5D4V SAH 0.008152 0.40477 7.60456
300 3MQ2 SAH 0.0161 0.40365 7.79817
301 5L95 AMP 0.0005332 0.46351 7.98479
302 1YB5 NAP 0.0002737 0.42537 7.98479
303 2OOR NAD 0.006357 0.4094 7.98479
304 1L7E NAI 0.008107 0.40204 7.98479
305 2VHW NAI 0.0009214 0.40018 7.98479
306 1O5I NAD 0.00000001577 0.66479 8.03213
307 1EJ0 SAM 0.0002345 0.40029 8.33333
308 2GZ3 NAP 0.0001467 0.47098 8.36502
309 1O94 ADP 0.002542 0.42012 8.36502
310 1CF2 NAP 0.0004889 0.41731 8.36502
311 1DJN ADP 0.00406 0.41468 8.36502
312 3FIU AMP 0.02339 0.40956 8.43373
313 3OJF NDP 0.0000007589 0.51153 8.56031
314 3OJF IMJ 0.0000008943 0.47931 8.56031
315 1MFA GLA MMA ABE 0.02008 0.42157 8.66142
316 2XG5 EC5 0.03625 0.41493 8.7156
317 2XG5 EC2 0.03625 0.41493 8.7156
318 3EVG SAH 0.006295 0.41914 8.74525
319 1J49 NAD 0.001926 0.41343 8.74525
320 2P41 SAH 0.0103 0.40941 8.74525
321 4YDS ATP 0.02243 0.41861 8.77193
322 3EWP APR 0.007525 0.40065 9.03955
323 5L53 NAP 0.0000001038 0.61414 9.12547
324 3KB6 NAD 0.0002305 0.45225 9.12547
325 1NVM NAD 0.0004428 0.43193 9.12547
326 1EBF NAD 0.0005279 0.40966 9.12547
327 3N8K D1X 0.02735 0.40608 9.30233
328 2PD4 DCN 0.0000006548 0.54464 9.5057
329 2PD4 NAD 0.0000006687 0.54429 9.5057
330 2X6T NAP 0.000002155 0.52234 9.5057
331 1EQ2 NAP 0.000002231 0.52178 9.5057
332 5H81 NAP 0.001485 0.43645 9.5057
333 1LUA NAP 0.005073 0.41673 9.5057
334 1ZMD NAI 0.003587 0.41107 9.5057
335 2F5Z FAD 0.005504 0.40414 9.5057
336 2A9K GDP 0.01487 0.40526 9.86547
337 3FGZ BEF 0.009392 0.43459 10.1562
338 5MGZ SAH 0.01068 0.40557 10.1695
339 1HDO NAP 0.00001167 0.47466 10.1942
340 4J1Q NDP 0.0000003295 0.53613 10.2662
341 5F8F SFG 0.003689 0.4373 10.2662
342 5JJR SAH 0.01299 0.40481 10.2662
343 4QTU SAM 0.002814 0.43139 10.5769
344 2Q1W NAD 0.0000006497 0.52449 10.6464
345 1JAY NAP 0.009245 0.40242 10.8491
346 3RJ5 NAD 0.00000001553 0.5473 11.0236
347 1EZ4 NAD 0.0003759 0.44729 11.0266
348 1V59 NAD 0.007953 0.42922 11.0266
349 4CLO NAP 0.000000001788 0.65204 11.4068
350 4CME NAP 0.000000001304 0.65059 11.4068
351 3BMN NAP 0.0000000008733 0.65059 11.4068
352 4CM9 NAP 0.0000000009969 0.64842 11.4068
353 4CM8 NAP 0.000000001504 0.64821 11.4068
354 4CM4 NAP 0.000000001783 0.64537 11.4068
355 3BMO NAP 0.000000002031 0.6432 11.4068
356 3JQ8 NAP 0.000000001504 0.64166 11.4068
357 4CLR NAP 0.000000002282 0.64125 11.4068
358 3BMQ NAP 0.000000001616 0.64049 11.4068
359 3JQF NAP 0.000000001622 0.64043 11.4068
360 4CMI NAP 0.000000002852 0.63753 11.4068
361 3JQ7 NAP 0.000000005012 0.63454 11.4068
362 3JQA NAP 0.000000005235 0.6338 11.4068
363 3JQG NAP 0.000000006755 0.62948 11.4068
364 3JQB NAP 0.000000006911 0.62909 11.4068
365 3JQ9 NAP 0.000000002702 0.62052 11.4068
366 2WD7 NAP 0.000000002415 0.61642 11.4068
367 2VZ0 D64 0.00000005108 0.40758 11.4068
368 2VZ0 NAP 0.00000005108 0.40758 11.4068
369 2QZ4 ADP 0.02478 0.40121 11.4504
370 3MJE NDP 0.00000000694 0.61656 11.4919
371 3B20 NAD 0.0002795 0.45965 11.5044
372 5KKA 6V0 0.00007832 0.4545 11.7871
373 1JNR FAD 0.009204 0.41425 12
374 4II2 ATP 0.001004 0.44743 12.0482
375 3OJO NAD 0.001062 0.43915 12.1673
376 4YEE 4CQ 0.03076 0.41239 12.2222
377 1W8D NAP 0.000000002182 0.67012 12.2517
378 1W73 NAP 0.000000005709 0.65291 12.2517
379 5E5U MLI 0.0084 0.43032 12.5628
380 2DBZ NAP 0.00009025 0.46454 12.8743
381 1W6U NAP 0.00000000862 0.64554 12.9139
382 5JAQ NAI 0.000004176 0.46607 12.9278
383 2FR1 NDP 0.000000518 0.5339 13.1687
384 1KEV NDP 0.000484 0.41751 13.308
385 2D2I NAP 0.0003507 0.45935 13.6842
386 2VUT NAD 0.005324 0.41581 13.9535
387 2YY7 NAD 0.000001406 0.52484 14.0684
388 5UAV TFB 0.0006152 0.43332 14.0684
389 5UAV NDP 0.0006152 0.43332 14.0684
390 1XL8 152 0.01454 0.42999 14.0684
391 2DC1 NAD 0.0003188 0.44674 14.8305
392 3H4V DVP 0.000000004692 0.6393 15.5894
393 3H4V NAP 0.00000001198 0.62174 15.5894
394 1E3W NAD 0.00000000003754 0.70226 15.7088
395 1E6W NAD 0.0000000001874 0.67586 15.7692
396 4Q9N NAI 0.0000002373 0.55358 15.9696
397 3V1U NAD 0.0008768 0.44459 16.3498
398 1Z0N BCD 0.01763 0.42597 17.7083
399 2O66 FLC 0.03965 0.40767 21.4815
400 1XSE NDP 0.00000000003188 0.71942 23.5741
401 3WXB NDP 0.00000001164 0.60227 24.3346
402 3O26 NDP 0.000000003989 0.62565 24.7148
403 4QED NAP 0.00000004604 0.58549 25.8065
404 1GZ6 NAI 0.0000002822 0.55078 26.2357
405 5L4S NAP 0.00000003987 0.59447 26.616
406 5L4S 6KX 0.00000003987 0.59447 26.616
407 4J7U YTZ 0.000000001702 0.65643 26.9962
408 4J7U NAP 0.000000001702 0.65643 26.9962
409 1Z6Z NAP 0.0000000008145 0.6397 26.9962
410 3O03 NAP 0.01014 0.40319 27.3764
411 2BD0 NAP 0.00000000001095 0.7035 28.2787
412 4NBT NAD 0.0000000001889 0.68285 28.3333
413 1GEG NAD 0.0000000003912 0.66378 28.5156
414 1XKQ NDP 0.00000000001917 0.68415 28.5171
415 2DTX BMA 0.00002154 0.53076 28.5171
416 3AY6 NAI 0.0000000002625 0.61019 29.2776
417 3AY6 BGC 0.000000001112 0.51847 29.2776
418 1ZEM NAD 0.00000001449 0.62285 29.3893
419 1H5Q NAP 0.000000001198 0.63901 29.6578
420 4FC7 NAP 0.00000003511 0.60531 29.6578
421 4FC7 COA 0.00000003511 0.60531 29.6578
422 2WYV NAD 0.00001645 0.48897 29.8851
423 3QWI NAP 0.0000000001666 0.66118 30.038
424 3QWI CUE 0.000000000555 0.57436 30.038
425 3AFN NAP 0.00000000001043 0.72113 30.2326
426 3D3W NAP 0.00000000005583 0.69378 30.3279
427 1PR9 NAP 0.00003978 0.51082 30.3279
428 1ZBQ NAD 0.00000002038 0.58522 30.4183
429 1XHL NDP 0.00008031 0.49662 30.4183
430 3VZS NAP 0.000000019 0.50939 31.1284
431 3VZS CAA 0.0000001469 0.41935 31.1284
432 2ZAT NAP 0.0000000004377 0.66193 31.1538
433 2GDZ NAD 0.00007186 0.4954 31.1787
434 4K26 NDP 0.00000000004972 0.6904 31.5589
435 4K26 SFF 0.00000000008897 0.6092 31.5589
436 1GEE NAD 0.0000000001096 0.68467 31.8008
437 2WSB NAD 0.000000003402 0.64109 31.8898
438 2B4Q NAP 0.0000000004187 0.66266 31.9392
439 4ZA2 NAD 0.000000002179 0.62024 32.0158
440 1LNX URI 0.01772 0.42597 32.0988
441 2DKN NAI 0.000000000002451 0.75538 32.1569
442 1YXM ADE 0.0001046 0.55328 32.3194
443 2CFC NAD 0.00000000008965 0.69529 32.4
444 1NFQ NAI 0.0000000003936 0.6595 32.6923
445 2Q2V NAD 0.00000000003814 0.67458 32.9412
446 5ITV NAI 0.0000000005285 0.65222 32.9412
447 3CH6 NAP 0.0000000001832 0.72198 33.4601
448 3CH6 311 0.0000000001832 0.72198 33.4601
449 3AI3 SOL 0.0493 0.4001 33.4601
450 1U7T NAD 0.00000000007344 0.70625 33.7165
451 1U7T TDT 0.0000000003106 0.5794 33.7165
452 3OID NDP 0.0000000001592 0.6767 33.7209
453 1AE1 NAP 0.000000000007777 0.72592 33.8403
454 3NUG NAD 0.0000000003546 0.65867 34.0081
455 1VL8 NAP 0.0000000003911 0.63895 34.6008
456 2AE2 PTO 0.000000000001651 0.65437 34.6154
457 2AE2 NAP 0.000000000001651 0.65437 34.6154
458 4CQM NAP 0.0000000001283 0.68208 35.2459
459 1Q7B NAP 0.000000007958 0.61431 37.7049
Pocket No.: 2; Query (leader) PDB : 5GT9; 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: 5gt9.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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