Receptor
PDB id Resolution Class Description Source Keywords
1WPQ 2.5 Å EC: 1.1.1.8 TERNARY COMPLEX OF GLYCEROL 3-PHOSPHATE DEHYDROGENASE 1 WITH NAD AND DIHYDROXYACTONE HOMO SAPIENS NAD GPD1 DEHYDROGENASE DIHYDROXYACTONE COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF HUMAN GLYCEROL 3-PHOSPHATE DEHYDROGENASE 1 (GPD1) J.MOL.BIOL. V. 357 858 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:2002;
B:2001;
Valid;
Valid;
none;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
NAD A:3001;
B:3002;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:1001;
A:1002;
A:1003;
A:1004;
A:1006;
A:1007;
B:1005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WPQ 2.5 Å EC: 1.1.1.8 TERNARY COMPLEX OF GLYCEROL 3-PHOSPHATE DEHYDROGENASE 1 WITH NAD AND DIHYDROXYACTONE HOMO SAPIENS NAD GPD1 DEHYDROGENASE DIHYDROXYACTONE COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF HUMAN GLYCEROL 3-PHOSPHATE DEHYDROGENASE 1 (GPD1) J.MOL.BIOL. V. 357 858 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1WPQ - NAD C21 H27 N7 O14 P2 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 3 families.
1 1WPQ - NAD C21 H27 N7 O14 P2 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 3 families.
1 1WPQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WPQ; Ligand: 13P; 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: 1wpq.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WPQ; Ligand: 13P; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 1wpq.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BX3 NOJ 0.01682 0.40516 2.29226
2 1TI7 NAP 0.01964 0.40325 2.5788
3 1O5O U5P 0.01425 0.4143 3.16742
4 3OV6 MK0 0.03366 0.40992 3.27456
5 4XP7 FNR 0.03117 0.4021 4.62428
6 4A3U FMN 0.02723 0.40056 5.73066
7 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.006153 0.41561 6.93069
8 3GXZ BMA MAN MAN MAN 0.009332 0.4149 6.93069
9 3RYC GTP 0.04505 0.40048 6.99301
10 3GRU AMP 0.02722 0.41049 10.0287
11 5CUQ NSC 0.01707 0.42659 10.1124
12 3HP8 SUC 0.0003889 0.46889 15.4545
Pocket No.: 3; Query (leader) PDB : 1WPQ; Ligand: NAD; Similar sites found: 238
This union binding pocket(no: 3) in the query (biounit: 1wpq.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3Q3C NAD 0.00009063 0.46458 1.67224
2 4ZGS NAD 0.00005219 0.4832 1.7192
3 1YKJ FAD 0.006226 0.43292 1.7192
4 3ETG GTP 0.0101 0.41137 1.7192
5 3ETG GLU 0.01517 0.4098 1.7192
6 2YVF NAD 0.009366 0.42414 2.00573
7 2YVF FAD 0.009587 0.42302 2.00573
8 5H81 NAP 0.002057 0.41974 2.00573
9 2GVC FAD 0.006922 0.40736 2.00573
10 4DPL NAP 0.0008078 0.40681 2.00573
11 2I3G NAP 0.0008006 0.40286 2.00573
12 4Q9N NAI 0.007126 0.4044 2.01342
13 3CMC NAD 0.004046 0.44348 2.09581
14 1J0X NAD 0.003415 0.43118 2.10843
15 5UAV TFB 0.0000232 0.42596 2.17391
16 5UAV NDP 0.0000232 0.42596 2.17391
17 1KYQ NAD 0.0001116 0.4913 2.18978
18 1HYE NAP 0.001763 0.41916 2.23642
19 1O0S NAI 0.0001452 0.46313 2.29226
20 1LJ8 NAD 0.0009269 0.43406 2.29226
21 1M2W NAD 0.001926 0.41759 2.29226
22 2BRY FAD 0.004521 0.41521 2.29226
23 1YJQ NAP 0.000002836 0.46899 2.31023
24 2AHR NAP 0.0004739 0.40419 2.3166
25 3KB6 NAD 0.00005295 0.45344 2.39521
26 3H8V ATP 0.002342 0.42807 2.39726
27 5CAE COA 0.00005019 0.47444 2.5788
28 1H6C NDP 0.0007804 0.4526 2.5788
29 1H6C SIN 0.001493 0.44274 2.5788
30 1QMG APX 0.0006345 0.43716 2.5788
31 4RQU NAD 0.0001873 0.43013 2.5788
32 5CAE SIN 0.00004622 0.42925 2.5788
33 3ULK NDP 0.0008874 0.42717 2.5788
34 4EIP FAD 0.004701 0.42601 2.5788
35 1PJS NAD 0.000327 0.42227 2.5788
36 4EIP K2C 0.006296 0.42218 2.5788
37 3LAD FAD 0.00741 0.41549 2.5788
38 2V3A FAD 0.009992 0.40596 2.5788
39 3WBF NAP 0.000192 0.43032 2.62295
40 1I0Z NAI 0.0002871 0.4169 2.7027
41 5U5G NAP 0.000009289 0.47407 2.71186
42 1TDF NAP 0.02402 0.40998 2.8481
43 1TDF FAD 0.01282 0.40846 2.8481
44 3OJO NAD 0.00004402 0.48415 2.86533
45 1CER NAD 0.0004927 0.42414 2.86533
46 1KEW NAD 0.008167 0.42041 2.86533
47 5LD5 NAD 0.002734 0.41142 2.86533
48 4MIG G3F 0.01358 0.40896 2.86533
49 4W6Z 8ID 0.001225 0.443 2.88184
50 1CF2 NAP 0.0002685 0.45777 2.96736
51 5EXK MET 0.03371 0.40176 3.02115
52 1SOW NAD 0.0004144 0.40423 3.04878
53 1RYI FAD 0.009051 0.41075 3.15186
54 2G5C NAD 0.0004226 0.41636 3.20285
55 1DSS NAD 0.0009965 0.41805 3.3033
56 1M1B SPV 0.02985 0.40416 3.38983
57 1MUU NAD 0.00004206 0.47013 3.4384
58 3ABI NAD 0.000008959 0.46966 3.4384
59 1MV8 NAD 0.00003209 0.46731 3.4384
60 3ICS ADP 0.001222 0.45853 3.4384
61 3ICT ADP 0.00184 0.44998 3.4384
62 2Q1S NAI 0.005404 0.42243 3.4384
63 3UN3 G16 0.009655 0.40999 3.4384
64 3OBT SLB 0.01925 0.40695 3.4384
65 4USQ FAD 0.007917 0.40604 3.4384
66 2QZZ EMF 0.002643 0.43093 3.45912
67 2QZZ NAP 0.002491 0.43093 3.45912
68 1EZ4 NAD 0.0003553 0.429 3.45912
69 1WP4 NDP 0.000006813 0.48643 3.46021
70 2CVZ NDP 0.00002436 0.47303 3.46021
71 3GGO ENO 0.00004626 0.4015 3.50318
72 3GGO NAI 0.00004626 0.4015 3.50318
73 1GUZ NAD 0.0005169 0.44927 3.54839
74 3VPH NAD 0.0001152 0.41434 3.54839
75 2DBZ NAP 0.00004879 0.49191 3.59281
76 4IDC 1XX 0.004283 0.41621 3.61446
77 4IDC NDP 0.004283 0.41621 3.61446
78 4E5N NAD 0.0002132 0.41773 3.63636
79 5JE8 NAD 0.000002894 0.51448 3.64238
80 3B20 NAD 0.0004933 0.44342 3.72493
81 1EBF NAD 0.0008666 0.43344 3.72493
82 2BH9 NAP 0.004853 0.42153 3.72493
83 5UAO FAD 0.005378 0.4176 3.72493
84 2D2I NAP 0.001922 0.41209 3.72493
85 5TH5 MET 0.02519 0.4068 3.80228
86 3QV1 NAD 0.0004311 0.43151 3.85757
87 5AYV KPL 0.000001462 0.56645 3.8835
88 5AYV NAP 0.0000004212 0.56601 3.8835
89 1X7D NAD 0.000142 0.43209 4.01146
90 3PDB OAA 0.01506 0.42301 4.01146
91 1HKU NAD 0.0001599 0.41999 4.01146
92 1GR0 NAD 0.00007749 0.41879 4.01146
93 3GFB NAD 0.0008357 0.40924 4.01146
94 1PS9 FAD 0.01358 0.40303 4.01146
95 2DFV NAD 0.000715 0.41273 4.03458
96 1P4V GLY 0.03014 0.40442 4.0678
97 4CJX NAP 0.002218 0.40572 4.07523
98 3B1F NAD 0.00005362 0.48523 4.13793
99 1I36 NAP 0.00004458 0.48392 4.16667
100 5U75 SIA GAL NDG FUC 0.01675 0.42681 4.16667
101 4BVA NDP 0.001505 0.43279 4.1791
102 4BVA T3 0.003569 0.4253 4.1791
103 1BXG NAD 0.000158 0.46726 4.29799
104 1BW9 NAD 0.000364 0.45084 4.29799
105 1C1X NAD 0.0003237 0.43067 4.29799
106 2IZ1 ATR 0.01042 0.42754 4.29799
107 2WPF WPF 0.02291 0.42135 4.29799
108 2WPF FAD 0.02465 0.41855 4.29799
109 1BZL FAD 0.04021 0.40865 4.29799
110 3F8D FAD 0.01384 0.42118 4.33437
111 3OA2 NAD 0.0007018 0.40961 4.40252
112 1LES GLC FRU 0.01121 0.43036 4.41989
113 4L8V NAP 0.0008356 0.44208 4.45104
114 4K28 NAD 0.0006822 0.42451 4.46097
115 5KKA 6V0 0.0001401 0.41851 4.48718
116 4D3F NAP 0.000005315 0.52672 4.51613
117 1HYH NAD 0.00003452 0.4418 4.53074
118 2AG8 NAP 0.0000801 0.48263 4.56274
119 2HJR APR 0.000342 0.44804 4.57317
120 1H2B NAJ 0.0002418 0.40665 4.58453
121 4E13 NAD 0.00002891 0.50129 4.59364
122 3NJ4 AFX 0.0001827 0.52925 4.5977
123 3NJ4 NAD 0.0004773 0.50891 4.5977
124 2AE2 NAP 0.01421 0.40125 4.61538
125 4JK3 NAD 0.0003566 0.4527 4.6332
126 2O4C NAD 0.0004643 0.45423 4.73684
127 1C3M MAN MAN 0.01168 0.41816 4.7619
128 5T9E NAP 0.000006832 0.52346 4.79705
129 1NVM NAD 0.0001215 0.42606 4.80769
130 2NU8 COA 0.00002558 0.47095 4.86111
131 1GQ2 NAP 0.0001711 0.42933 4.87106
132 1RM4 NDP 0.001521 0.42827 4.87106
133 1KEV NDP 0.0001381 0.40998 4.87106
134 3UOY NAP 0.02597 0.40673 4.87106
135 1LTH NAD 0.000123 0.45886 5.01567
136 3WV8 ATP 0.0006001 0.44981 5.04587
137 2NAD NAD 0.0008877 0.44775 5.15759
138 5E4R NAP 0.000266 0.42653 5.15759
139 1YKF NAP 0.0001864 0.4243 5.15759
140 3UCL NAP 0.03011 0.40428 5.15759
141 5T9F NAP 0.000006835 0.44081 5.16605
142 5T9F TYR 0.000005356 0.43851 5.16605
143 4XDZ NDP 0.0004769 0.43154 5.24781
144 1VM6 NAD 0.004424 0.4061 5.26316
145 4F5Z BEZ 0.03358 0.40024 5.35117
146 1LDN NAD 0.00008569 0.48503 5.37975
147 4XDY NAI 0.0002314 0.43792 5.44413
148 3CIF NAD 0.001025 0.43689 5.44413
149 1UC2 SUC 0.01336 0.4165 5.44413
150 3CIF G3H 0.005403 0.41426 5.44413
151 1P77 ATR 0.002921 0.45548 5.51471
152 2YYY NAP 0.003671 0.41382 5.53936
153 4YEF 4CQ 0.04357 0.40256 5.61798
154 1DXY NAD 0.00007508 0.48057 5.70571
155 1HDG NAD 0.002851 0.40043 5.72289
156 3T31 DCQ 0.007598 0.42555 5.73066
157 3T31 FAD 0.007056 0.42555 5.73066
158 5BSH PRO 0.0002416 0.46763 5.77617
159 4XB2 HSE 0.000604 0.45086 5.97015
160 4XB2 NDP 0.0003256 0.44891 5.97015
161 2VHW NAI 0.0001943 0.47723 6.01719
162 1A5Z NAD 0.0002446 0.45798 6.01719
163 5N2I NAP 0.0000008804 0.53994 6.03448
164 4TSK NDP 0.000717 0.44019 6.30372
165 1D1T NAD 0.0001648 0.41655 6.30372
166 1V59 FAD 0.0118 0.40924 6.30372
167 2HYR BGC GLC 0.02013 0.40825 6.55738
168 2NU5 NAG 0.02323 0.40068 6.55738
169 3CTY FAD 0.01352 0.40577 6.58307
170 2DKH FAD 0.007568 0.40571 6.59026
171 3Q9T FAY 0.01269 0.40146 6.59026
172 1LUA NAP 0.002611 0.40491 6.62021
173 4YEE 4CQ 0.01962 0.40821 6.66667
174 1M26 GAL A2G 0.01232 0.4182 6.76692
175 1PL6 NAD 0.0007816 0.44091 6.87679
176 4KQW NAP 0.0009368 0.44548 7.16332
177 1V8B NAD 0.0001286 0.40555 7.16332
178 3LN9 FLC 0.01141 0.43186 7.19424
179 5TQZ GLC 0.0289 0.40318 7.33333
180 1G8S MET 0.0288 0.40669 7.3913
181 1GV0 NAD 0.0003267 0.45912 7.41935
182 2EV9 NAP 0.001886 0.43001 7.60456
183 5X20 NAD 0.000001525 0.52492 7.69231
184 1MO9 FAD 0.01299 0.42623 7.73639
185 1MO9 KPC 0.01611 0.42231 7.73639
186 5H5O PCG 0.01409 0.40371 7.75194
187 1R6D NAD 0.01222 0.41405 8.30861
188 1R6D DAU 0.01365 0.41114 8.30861
189 5DN9 NAD 0.000179 0.41029 8.30946
190 2IXB NAD 0.0001862 0.41982 8.59599
191 1LLU NAD 0.0003262 0.40038 8.77193
192 3WLE NAD 0.0005644 0.45741 8.79765
193 4J36 1HR 0.002539 0.43682 8.88252
194 4J36 FAD 0.001578 0.43458 8.88252
195 1R37 NAD 0.004216 0.41769 8.93372
196 2DT5 NAD 0.00003162 0.45638 9.00474
197 1O68 KIV 0.0256 0.40643 9.09091
198 1RP0 AHZ 0.0007025 0.44809 9.15493
199 1O6Z NAD 0.003111 0.40404 9.24092
200 3C1O NAP 0.002951 0.41173 9.34579
201 1GAD NAD 0.002234 0.41984 9.69697
202 1FWV SGA MAG FUC 0.01804 0.42349 9.70149
203 1LDM NAD 0.0002209 0.42029 9.72644
204 1CDO NAD 0.001172 0.41106 9.74212
205 1JAY NAP 0.00003287 0.49401 9.90566
206 4YCA NDP 0.00001447 0.48229 10.0287
207 2VT3 ATP 0.000513 0.40138 10.2326
208 9LDT NAD 0.0000763 0.48715 10.241
209 9LDB NAD 0.00006975 0.4315 10.241
210 3FWN ATR 0.00517 0.41392 10.3152
211 2XG5 EC2 0.02713 0.40032 10.4046
212 2XG5 EC5 0.02713 0.40032 10.4046
213 3BAZ NAP 0.00005251 0.46683 10.8108
214 3AD8 FAD 0.02666 0.40562 10.8374
215 2F1K NAP 0.00001163 0.48591 11.1111
216 3C7A NAD 0.006335 0.42416 11.1748
217 5L95 AMP 0.001823 0.42904 11.25
218 2GAG FAD 0.01404 0.40589 11.4613
219 2GAG FOA 0.01461 0.40513 11.4613
220 2HK9 ATR 0.0006433 0.4774 11.6364
221 2HK9 NAP 0.00102 0.41327 11.6364
222 1FEC FAD 0.008453 0.4165 11.7479
223 1ZH8 NAP 0.002968 0.41624 12.0344
224 2F5Z FAD 0.00695 0.41763 12.5
225 1WDK NAD 0.0006226 0.43749 12.6074
226 1JNR FAD 0.01245 0.42498 12.6667
227 1OMO NAD 0.001098 0.4216 12.7329
228 1PVS 7HP 0.01077 0.40351 13.8298
229 2PV7 NAD 0.000004255 0.49436 14.094
230 4CLO XP0 0.01009 0.42583 14.2361
231 3BMN AX3 0.01663 0.40943 14.2361
232 3BMO AX4 0.03188 0.40116 14.2361
233 3V1Y NAD 0.0009328 0.41381 14.8368
234 1J49 NAD 0.000128 0.43473 15.3153
235 3B1J NAD 0.0003923 0.41292 16
236 1P0F NAP 0.0001756 0.41626 18.0516
237 1LSS NAD 0.003916 0.41138 22.8571
238 2VOH CIT 0.02764 0.40092 23.0769
Pocket No.: 4; Query (leader) PDB : 1WPQ; Ligand: NAD; 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: 1wpq.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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