-->
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: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WPQ; Ligand: 13P; Similar sites found with APoc: 83
This union binding pocket(no: 1) in the query (biounit: 1wpq.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5V2J 7WV 0.859599
2 5V2J UDP 0.859599
3 1I9G SAM 1.07143
4 3A4V NAD 1.26183
5 3A4V PYR 1.26183
6 1YBQ BDH 1.43266
7 1F76 FMN 1.4881
8 3U2U UDP 1.52091
9 3ENV ABF 1.70213
10 2X6T NAP 1.7192
11 3RC1 NAP 1.7192
12 2X1L ADN 1.7192
13 5ULP KB1 1.86567
14 1EQ2 NAP 1.93548
15 2I3G NAP 2.00573
16 4BGB ADP 2.15385
17 1OLS TDP 2.29226
18 2WTX VDO 2.29226
19 2WTX UDP 2.29226
20 1YIQ PQQ 2.29226
21 1VHT BA3 2.29358
22 4ZLU 4PW 2.5788
23 1QMG APX 2.5788
24 4KBB BGC GAL SIA NGA GAL SIA 2.83224
25 1PFY MSP 2.86533
26 5G4L NDP 3.14685
27 5WA0 MSS 3.15186
28 2ZXI FAD 3.15186
29 3CIP ATP 3.15186
30 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 3.28358
31 1QFT HSM 3.42857
32 1VLJ NAP 3.4384
33 5KMS FAD 3.45679
34 1DL5 SAH 3.47003
35 5FB3 NDP 3.5503
36 1O8B ABF 3.65297
37 2RC5 FAD 3.82166
38 1B63 ANP 3.9039
39 6FKW PQQ 4.01146
40 6AM8 PLT 4.01146
41 6CUZ FEV 4.01146
42 2Q16 ITT 4.10959
43 2WET FAD 4.29799
44 1Y63 ADP 4.34783
45 3D91 REM 4.39883
46 5XKT GNP 4.5
47 3ELW SAM 4.66667
48 3ELW GP3 4.66667
49 2R75 01G 4.73373
50 1CX9 NHP 4.85075
51 2D3M COA 4.87106
52 5EOB 5QQ 5.01567
53 3PG7 PTY 5.07812
54 5EOU ATP 5.44413
55 3EYA FAD 5.44413
56 1IYE PGU 5.50162
57 1XDY MTE 5.7047
58 1VKO NAD 5.73066
59 2D1K ATP 6.01719
60 1QO8 FAD 6.01719
61 3SJH ATP 6.01719
62 1XJD STU 6.08696
63 2RDK MAN MAN 6.42202
64 3RYC GTP 6.99301
65 1ZSQ PIB 7.16332
66 5JXF ARG ASP 7.16332
67 4REP FAD 7.27273
68 3G5S FAD 7.44986
69 5H5O PCG 7.75194
70 3EEB IHP 8.13397
71 3L8G GMB 8.55615
72 1U1W 3HA 8.72483
73 2D0V PQQ 9.72222
74 2BES RES 9.88372
75 3GRU AMP 10.0287
76 3OU2 SAH 13.7615
77 3HP8 SUC 15.4545
78 5XWC 2IT 16.3324
79 5XWC 8GL 16.3324
80 5XWC NAP 16.3324
81 2VUT NAD 20.9302
82 5EIB GTP 26.087
83 5ODQ FAD 30.7143
Pocket No.: 2; Query (leader) PDB : 1WPQ; Ligand: 13P; Similar sites found with APoc: 65
This union binding pocket(no: 2) in the query (biounit: 1wpq.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2IBY COA 1.43266
2 2QZX IVA VAL VAL STA ALA STA 1.46199
3 5W7K SAH 1.60256
4 6GXA TB8 1.7192
5 3RC1 TLO 1.7192
6 6GNF ADP 2.00573
7 6B0K 9RN G4S 9RN G4S 2.00573
8 6ES9 FAD 2.00573
9 6B0K G4S 9RN G4S 9RN G4S 2.00573
10 1V7C HEY 2.29226
11 1EE0 CAA 2.29226
12 5BX3 NOJ 2.29226
13 5Y0T TAT 2.29226
14 4ZLU ADP 2.5788
15 3SSO SAH 2.5788
16 3PFD FDA 2.5788
17 4QYS PLR 2.5788
18 1TI7 NAP 2.5788
19 4QYS PLP SEP 2.5788
20 5FNU L6I 2.63158
21 1Z4O GL1 2.71493
22 5W8Q BU4 2.86533
23 3GD4 NAD 2.86533
24 5N9X ATP 2.86533
25 1O5O U5P 3.16742
26 3OV6 MK0 3.27456
27 2GCG NDP 3.33333
28 2XTS MTE 3.41463
29 4P5E N6P 3.94737
30 1TB4 PEJ 4.01146
31 4TMC HBA 4.29799
32 4TMC FMN 4.29799
33 1JQI FAD 4.58453
34 2CVQ NDP 4.58716
35 4ZL4 4PK 4.87106
36 5EJL C2E 5.24194
37 2VL8 CTS 5.44413
38 1TN6 FII 5.44413
39 5XJ8 NKO 5.47264
40 2HMT NAI 5.55556
41 3KPX CZH 5.55556
42 1YNQ NDP 5.67823
43 4A3U FMN 5.73066
44 3ICC NAP 5.88235
45 1W5F G2P 6.23229
46 2FQX GMP 6.28931
47 3HL4 CDC 6.77966
48 2G50 PYR 6.87679
49 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 6.93069
50 3GXZ BMA MAN MAN MAN 6.93069
51 2PI8 NAG NAG NAG NAG NAG NAG 7.24638
52 4DHY GLC 7.44986
53 1SJN DUP 8.23529
54 1E8G FAD 8.59599
55 2FLI DX5 8.63636
56 2X24 X24 8.88252
57 1OT6 HC4 9.6
58 3WOL VAL TYR 10.0287
59 5CUQ NSC 10.1124
60 5XVH NAP 11.4379
61 3KYF 5GP 5GP 12.1212
62 3LL5 IPE 12.4498
63 3LL5 ADP 12.4498
64 3LL5 ATP 12.4498
65 3D36 ADP 21.7391
Pocket No.: 3; Query (leader) PDB : 1WPQ; Ligand: NAD; Similar sites found with APoc: 635
This union binding pocket(no: 3) in the query (biounit: 1wpq.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2GZ3 NAP 0.859599
2 4XQC 13D 1.14613
3 4XQC NAD 1.14613
4 3FPZ AHZ 1.22699
5 1UWK NAD 1.43266
6 1UWK URO 1.43266
7 1K3T BRZ 1.43266
8 1PGP 6PG 1.43266
9 2D3N GLC GLC GLC 1.43266
10 3ITJ FAD 1.47929
11 4Z0H NAD 1.49701
12 3Q3C NAD 1.67224
13 4ZGS NAD 1.7192
14 4XYB NDP 1.7192
15 2GSD NAD 1.7192
16 1YKJ PHB 1.7192
17 1YKJ FAD 1.7192
18 1US2 XYP XYP XYP XYP 1.7192
19 3ETG GTP 1.7192
20 3ETG GLU 1.7192
21 5MBX FAD 1.7192
22 5MBX SP5 1.7192
23 3ETG NDP 1.7192
24 1BXK NAD 1.7192
25 5JY6 NAD 1.7192
26 1N7G NDP 1.7192
27 1WVG APR 1.7192
28 4A0S NAP 1.7192
29 3ZNN FAD 1.72911
30 3ZNN 4WL 1.72911
31 6GNA FAD 1.73611
32 2B4R AES 1.73913
33 2B4R NAD 1.73913
34 6B2W AG2 1.8018
35 1ZEM NAD 1.9084
36 4ZRN UPG 1.92308
37 4ZRN NAD 1.92308
38 4OOE FOM 2.00573
39 4OOE NDP 2.00573
40 2YVF NAD 2.00573
41 5BJX NAD 2.00573
42 5BJX UDP 2.00573
43 2YVF FAD 2.00573
44 3AYI FAD 2.00573
45 3AYI HCI 2.00573
46 4EMI NAD 2.00573
47 5H81 NAP 2.00573
48 2GV8 FAD 2.00573
49 4JDR FAD 2.00573
50 2NVK FAD 2.00573
51 2GVC FAD 2.00573
52 4DPL NAP 2.00573
53 2I3G NAP 2.00573
54 5JCM FAD 2.00573
55 5JCM ISD 2.00573
56 5JCM NAD 2.00573
57 1VQW FAD 2.00573
58 4Q9N NAI 2.01342
59 3WGT QSC 2.01729
60 3WGT FAD 2.01729
61 1LC3 NAD 2.04082
62 3L6C MLI 2.0649
63 6CEP NAD 2.09581
64 6CEP OXM 2.09581
65 5YLF BGC 2.09581
66 3CMC NAD 2.09581
67 4MDH NAD 2.09581
68 5MDH NAD 2.1021
69 1J0X NAD 2.10843
70 5UAV NDP 2.17391
71 5UAV TFB 2.17391
72 1KYQ NAD 2.18978
73 1HYE NAP 2.23642
74 1O0S NAI 2.29226
75 3K5I AIR 2.29226
76 2AQJ TRP 2.29226
77 2AQJ FAD 2.29226
78 1KOL NAD 2.29226
79 1LJ8 NAD 2.29226
80 4EUE NAI 2.29226
81 5WGR FAD 2.29226
82 5FI3 NAP 2.29226
83 4TXI FAD 2.29226
84 1M2W NAD 2.29226
85 2BRY FAD 2.29226
86 5W8X UDP 2.29226
87 2RGJ FAD 2.29226
88 1IXE CIT 2.29226
89 2R4J 13P 2.29226
90 2R4J FAD 2.29226
91 1YJQ NAP 2.31023
92 2AHR NAP 2.3166
93 5YU3 PRO 2.32558
94 5YU3 NAD 2.32558
95 4JNA FAD 2.35294
96 4GKV NAD 2.38095
97 3KB6 NAD 2.39521
98 3H8V ATP 2.39726
99 2Q7V FAD 2.46154
100 5EO8 TFU 2.57235
101 5CAE SIN 2.5788
102 5CAE COA 2.5788
103 1RYD NDP 2.5788
104 1H6C NDP 2.5788
105 1H6C SIN 2.5788
106 1QMG APX 2.5788
107 5VKT NAP 2.5788
108 4RQU NAD 2.5788
109 1C0I FAD 2.5788
110 1C0I BE2 2.5788
111 3ULK NDP 2.5788
112 1GPE FAD 2.5788
113 5U8U FAD 2.5788
114 4EIP FAD 2.5788
115 3LAD FAD 2.5788
116 1PJS NAD 2.5788
117 4EIP K2C 2.5788
118 3HAD NAD 2.5974
119 3WBF NAP 2.62295
120 3WBF API 2.62295
121 5A1T NAI 2.6393
122 5A1T OXM 2.6393
123 5U5G NAP 2.71186
124 5A96 GTP 2.81124
125 1TDF NAP 2.8481
126 1TDF FAD 2.8481
127 3OJO NAD 2.86533
128 4KVL PLM 2.86533
129 1KEW NAD 2.86533
130 2NPX NAD 2.86533
131 1X87 NAD 2.86533
132 2GJP MAL 2.86533
133 5JWC FAD 2.86533
134 1CER NAD 2.86533
135 4MIG G3F 2.86533
136 5LD5 NAD 2.86533
137 3GD4 NAD 2.86533
138 4B63 ORN 2.86533
139 4B63 FAD 2.86533
140 4B63 NAP 2.86533
141 3NYC IAR 2.86533
142 3NYC FAD 2.86533
143 2YG3 FAD 2.86533
144 4G5H UD7 2.86533
145 4G5H NAP 2.86533
146 1PN0 IPH 2.86533
147 1OC2 TDX 2.87356
148 1OC2 NAD 2.87356
149 4W6Z 8ID 2.88184
150 2DC1 NAD 2.9661
151 1CF2 NAP 2.96736
152 5Z2F NAP 3.01887
153 1PZG A3D 3.02115
154 5EXK MET 3.02115
155 4DE3 DN8 3.04183
156 5GT9 NAP 3.04183
157 1SOW NAD 3.04878
158 5OCM NAP 3.09278
159 6DW2 HD4 3.13725
160 5G4L NDP 3.14685
161 5M67 3D1 3.15186
162 5M67 ADE 3.15186
163 5M67 NAD 3.15186
164 6F3N ADN 3.15186
165 6F3N NAD 3.15186
166 1KJ8 GAR 3.15186
167 5O9F NAD 3.15186
168 5O9F 9ON 3.15186
169 1YQD NAP 3.15186
170 2CDC XYP 3.15186
171 2CDC XYS 3.15186
172 1RYI GOA 3.15186
173 6F3M NAD 3.15186
174 2CDC NAP 3.15186
175 4EDF UPG 3.15186
176 1RYI FAD 3.15186
177 4CNK MEU 3.15186
178 3AXB FAD 3.15186
179 3AXB PRO 3.15186
180 1XHC FAD 3.15186
181 2G5C NAD 3.20285
182 5EES NAP 3.23887
183 4PLG NAI 3.29341
184 4PLG OXM 3.29341
185 1DSS NAD 3.3033
186 2GCG NDP 3.33333
187 5NM7 GLY 3.38346
188 1M1B SPV 3.38983
189 2F6U CIT 3.4188
190 1MV8 NAD 3.4384
191 1MUU NAD 3.4384
192 3ICS ADP 3.4384
193 3ABI NAD 3.4384
194 3ICT ADP 3.4384
195 2Q1S NAI 3.4384
196 2B5W NAP 3.4384
197 2E5V FAD 3.4384
198 3UN3 G16 3.4384
199 5NMX NAP 3.4384
200 3OBT SLB 3.4384
201 5NMX FAD 3.4384
202 4USQ FAD 3.4384
203 5KMS NAD 3.45679
204 2QZZ NAP 3.45912
205 2QZZ EMF 3.45912
206 1EZ4 NAD 3.45912
207 1WP4 NDP 3.46021
208 2CVZ NDP 3.46021
209 5B4T 3HR 3.46154
210 5B4T NAD 3.46154
211 3OND ADN 3.48361
212 3OND NAD 3.48361
213 3GGO NAI 3.50318
214 3GGO ENO 3.50318
215 2P3V SRT 3.51562
216 3VPH NAD 3.54839
217 1GUZ NAD 3.54839
218 3VPH OXM 3.54839
219 4FBL SPD 3.55872
220 1UXG NAD 3.55987
221 1UXG FUM 3.55987
222 5AOV NAP 3.57143
223 5U5N NAD 3.58423
224 2DBZ NAP 3.59281
225 6BII NAP 3.6036
226 4IDC 1XX 3.61446
227 4IDC NDP 3.61446
228 4IN9 SER TRP PHE PRO 3.61446
229 4E5N NAD 3.63636
230 5JE8 NAD 3.64238
231 3B20 NAD 3.72493
232 3L9W AMP 3.72493
233 1EBF NAD 3.72493
234 1E5Q NDP 3.72493
235 5G3U FDA 3.72493
236 5UAO FAD 3.72493
237 2D2I NAP 3.72493
238 4FWE FAD 3.72493
239 1Q9I TEO 3.72493
240 1Q9I FAD 3.72493
241 3L9W GSH 3.72493
242 5G3U ITW 3.72493
243 3I6I NDP 3.75723
244 5TH5 MET 3.80228
245 2RI1 GLP 3.82979
246 3QV1 NAD 3.85757
247 2Q0L FAD 3.85852
248 4B7X NAP 3.86905
249 5AYV KPL 3.8835
250 5AYV NAP 3.8835
251 3LZW NAP 3.91566
252 3LZW FAD 3.91566
253 5X9D 80F 3.94737
254 2Q46 NAP 3.95257
255 1DLJ NAI 4.01146
256 1DLJ UGA 4.01146
257 1GR0 NAD 4.01146
258 1X7D ORN 4.01146
259 1HKU NAD 4.01146
260 1X7D NAD 4.01146
261 3GFB NAD 4.01146
262 3PDB OAA 4.01146
263 1YY5 FAD 4.01146
264 6AM8 TRP 4.01146
265 1TB4 PEJ 4.01146
266 1PS9 FAD 4.01146
267 1RSG FAD 4.01146
268 5O42 NAD 4.0146
269 5O42 BGC 4.0146
270 5O42 9JW 4.0146
271 2DFV NAD 4.03458
272 4CJX NAP 4.07523
273 1C3V NDP 4.08163
274 3B1F NAD 4.13793
275 1I36 NAP 4.16667
276 5U75 SIA GAL NDG FUC 4.16667
277 4BVA T3 4.1791
278 4BVA NDP 4.1791
279 4ZVV GN0 4.21687
280 4ZVV NAD 4.21687
281 4PLT OXM 4.22961
282 6GAS FAD 4.22961
283 4PLT NAI 4.22961
284 5MIT FAD 4.28135
285 5MIT NAP 4.28135
286 1C1X NAD 4.29799
287 1BW9 NAD 4.29799
288 5UR0 NAD 4.29799
289 4KP7 NAP 4.29799
290 4KP7 1UQ 4.29799
291 1BXG NAD 4.29799
292 2IZ1 ATR 4.29799
293 2WET FAD 4.29799
294 5TS5 FAD 4.29799
295 6FHO FAD 4.29799
296 2WPF WPF 4.29799
297 2WPF FAD 4.29799
298 1BZL GCG 4.29799
299 2IVD FAD 4.29799
300 1BZL FAD 4.29799
301 3F8D FAD 4.33437
302 3OA2 NAD 4.40252
303 5W3K NDP 4.41176
304 5W3K 9TY 4.41176
305 1LES GLC FRU 4.41989
306 5EW9 5VC 4.42804
307 4L8V NAP 4.45104
308 4ZCC NAI 4.46429
309 4ZCC FAD 4.46429
310 5KKA 6V0 4.48718
311 4D3F NAP 4.51613
312 1HYH NAD 4.53074
313 2AG8 NAP 4.56274
314 2HJR APR 4.57317
315 1H2B NAJ 4.58453
316 6C4M NAP 4.58453
317 5X68 FAD 4.58453
318 5GSN FAD 4.58453
319 5GSN NAP 4.58453
320 6ER9 FAD 4.58453
321 2RAB NAD 4.58453
322 2RAB FAD 4.58453
323 5GSN MMZ 4.58453
324 1GY8 NAD 4.58453
325 4AP3 FAD 4.58453
326 4AP3 NAP 4.58453
327 4MOP 2H5 4.58453
328 2A8X FAD 4.58453
329 4M52 M52 4.58453
330 4M52 FAD 4.58453
331 2CVQ NDP 4.58716
332 4E13 NAD 4.59364
333 3NJ4 AFX 4.5977
334 3NJ4 NAD 4.5977
335 3TWO NDP 4.5977
336 1MJT NAD 4.61095
337 2AE2 NAP 4.61538
338 2AE2 PTO 4.61538
339 4J4H NAI 4.6332
340 4J4H 1J1 4.6332
341 4JK3 NAD 4.6332
342 6AA8 NAD 4.63576
343 1T26 NAI 4.65839
344 1T26 GBD 4.65839
345 5J60 FAD 4.6875
346 2O4C NAD 4.73684
347 2CUL FAD 4.74138
348 1C3M MAN MAN 4.7619
349 1RPN NDP 4.77612
350 5T9E NAP 4.79705
351 1NVM NAD 4.80769
352 2NU8 COA 4.86111
353 1KEV NDP 4.87106
354 1GQ2 NAP 4.87106
355 4BJZ P3A 4.87106
356 4BJZ FAD 4.87106
357 5HSA FAS 4.87106
358 3WQQ IB3 4.87106
359 3WQQ NDP 4.87106
360 3AB1 FAD 4.87106
361 3UOY FAD 4.87106
362 3UOY NAP 4.87106
363 1ORR NAD 4.87106
364 1RM4 NDP 4.87106
365 5FJN FAD 4.87106
366 5FJN BE2 4.87106
367 2RGH FAD 4.90368
368 3H9E NAD 4.91329
369 4ZDM GLY 4.98084
370 1LTH NAD 5.01567
371 6CI9 NAP 5.01931
372 5Z21 NAI 5.02793
373 1B4U DHB 5.03597
374 3WV8 ATP 5.04587
375 5K0A FAD 5.15152
376 5TOW NAI 5.15759
377 5TOW ADN 5.15759
378 2NAD NAD 5.15759
379 6A3J NAI 5.15759
380 6A3J SOE 5.15759
381 5E4R NAP 5.15759
382 1YKF NAP 5.15759
383 5VN0 NAI 5.15759
384 2CDU ADP 5.15759
385 3CGD FAD 5.15759
386 3CGD COA 5.15759
387 3CGD NAD 5.15759
388 3NKS FAD 5.15759
389 3UCL NAP 5.15759
390 6FBA D48 5.15759
391 5T9F NAP 5.16605
392 5T9F TYR 5.16605
393 4OM8 NAD 5.17799
394 1Z0N BCD 5.20833
395 2GN4 UD1 5.23256
396 4XDZ NDP 5.24781
397 1VM6 NAD 5.26316
398 5N6C NAD 5.33333
399 4F5Z BEZ 5.35117
400 5OJL TXP 5.36913
401 1LDN NAD 5.37975
402 3MMH SME 5.38922
403 6A0S NDP 5.42169
404 6A0S HSE 5.42169
405 5Y8L HUI 5.42373
406 5Y8L NAD 5.42373
407 4XDY NAI 5.44413
408 1RM0 D6P 5.44413
409 1RM0 NAI 5.44413
410 2Y6Q FAD 5.44413
411 2Y6Q I7T 5.44413
412 1U1I NAD 5.44413
413 5N0J FAD 5.44413
414 1UC2 SUC 5.44413
415 3CIF G3H 5.44413
416 3CIF NAD 5.44413
417 2C7G FAD 5.44413
418 1P77 ATR 5.51471
419 6F9Q NAD 5.51471
420 2YYY NAP 5.53936
421 4YEF 4CQ 5.61798
422 5YRJ BGC GLC 5.6338
423 5YRG BGC GLC 5.6338
424 5YRM BGC GLC 5.6338
425 5I39 FAD 5.63725
426 2DTX BMA 5.68182
427 1HDG NAD 5.72289
428 1VKO NAD 5.73066
429 3T31 FAD 5.73066
430 3T31 DCQ 5.73066
431 6F97 FAD 5.73066
432 1GET NAP 5.73066
433 1GET FAD 5.73066
434 5ZZ6 NAD 5.76923
435 5ZZ6 ADP 5.76923
436 5BSH PRO 5.77617
437 4YRY FAD 5.7971
438 5OOH NAP 5.82524
439 5OOH 9ZZ 5.82524
440 5DOZ NDP 5.91716
441 3AY6 BGC 5.94796
442 3AY6 NAI 5.94796
443 4XB2 NDP 5.97015
444 4XB2 HSE 5.97015
445 3ORF NAD 5.9761
446 2VHW NAI 6.01719
447 1A5Z NAD 6.01719
448 6C4N NAP 6.01719
449 1QO8 FAD 6.01719
450 4RVU NDP 6.0241
451 5N2I NAP 6.03448
452 1E6E FAD 6.25
453 4NTC FAD 6.26866
454 4TSK NDP 6.30372
455 1D1T NAD 6.30372
456 3KLJ FAD 6.30372
457 1V59 FAD 6.30372
458 1J5P NAD 6.32411
459 5A04 BGC 6.48968
460 5A04 NDP 6.48968
461 2HYQ MAN MAN 6.55738
462 2HYR BGC GLC 6.55738
463 2GUD MAN 6.55738
464 2NUO BGC 6.55738
465 2NU5 NAG 6.55738
466 3CTY FAD 6.58307
467 2FZW NAD 6.59026
468 5BUK FAD 6.59026
469 2Z3Y F2N 6.59026
470 2GMH FAD 6.59026
471 2DKH FAD 6.59026
472 3Q9T FAY 6.59026
473 1LUA NAP 6.62021
474 4YEE 4CQ 6.66667
475 1M26 GAL A2G 6.76692
476 1PL6 572 6.87679
477 1PL6 NAD 6.87679
478 5J7X FAD 6.87679
479 6F7L FAD 7.01357
480 1U3U NAD 7.16332
481 1U3U BNF 7.16332
482 1V8B NAD 7.16332
483 4KQW NAP 7.16332
484 1E3I CXF 7.16332
485 3A06 NDP 7.16332
486 3A06 FOM 7.16332
487 6FUL PG0 7.16332
488 3LN9 FLC 7.19424
489 5ZI2 ADP 7.24638
490 5ZI2 NAD 7.24638
491 5TQZ GLC 7.33333
492 1G8S MET 7.3913
493 1GV0 NAD 7.41935
494 5J5Z FAD 7.44986
495 5BVA FAD 7.44986
496 3G5S FAD 7.44986
497 5Z20 NAI 7.53623
498 2EV9 SKM 7.60456
499 2EV9 NAP 7.60456
500 5X20 NAD 7.69231
501 2ZJ1 NAD 7.73639
502 2ZJ1 ARJ 7.73639
503 1MO9 FAD 7.73639
504 1MO9 KPC 7.73639
505 5H5O PCG 7.75194
506 4XZ3 COA 7.82609
507 6GAR FAD 8.02292
508 4MP8 NAD 8.25959
509 4MP8 MLI 8.25959
510 1R6D NAD 8.30861
511 1R6D DAU 8.30861
512 5DN9 NAD 8.30946
513 5OC1 FAD 8.30946
514 4YKG FAD 8.30946
515 4YKG NAD 8.30946
516 3K7M FAD 8.30946
517 1GZ4 ATP 8.59599
518 2IXB A2G 8.59599
519 2JHF NAD 8.59599
520 1SAY PYR 8.59599
521 2IXB NAD 8.59599
522 5EZ7 FAD 8.59599
523 1LLU NAD 8.77193
524 3WLE NAD 8.79765
525 1Q0H NDP 8.88252
526 4J36 1HR 8.88252
527 1Q0H FOM 8.88252
528 4J36 FAD 8.88252
529 2HQM FAD 8.88252
530 3E1T FAD 8.88252
531 3TAO PGH 8.88252
532 1R37 NAD 8.93372
533 3O9Z AKG 8.97436
534 3O9Z NAD 8.97436
535 2DT5 NAD 9.00474
536 1O68 KIV 9.09091
537 4XYM COA 9.13043
538 1RP0 AHZ 9.15493
539 3QVP FAD 9.16905
540 4K5S PM0 9.16905
541 4K5S FAD 9.16905
542 1O6Z NAD 9.24092
543 3C1O NAP 9.34579
544 1FL2 FAD 9.35484
545 3FG2 FAD 9.45559
546 5GUD NDP 9.45559
547 5GUD 2IT 9.45559
548 3L4S NAD 9.52381
549 3L4S 3PG 9.52381
550 2VYN NAD 9.66767
551 1GAD NAD 9.69697
552 1FWV SGA MAG FUC 9.70149
553 1LDM NAD 9.72644
554 5YAP NAI 9.73684
555 5YAP 8S0 9.73684
556 1CDO NAD 9.74212
557 1JAY NAP 9.90566
558 4YCA NDP 10.0287
559 2XVE FAD 10.0287
560 2XVF FAD 10.0287
561 2GL0 ADN 10.1796
562 2VT3 ATP 10.2326
563 9LDB NAD 10.241
564 9LDT NAD 10.241
565 3FWN ATR 10.3152
566 5NII FAD 10.356
567 2XG5 EC5 10.4046
568 2XG5 EC2 10.4046
569 3BAZ NAP 10.8108
570 3AD8 FAD 10.8374
571 3AD8 PYC 10.8374
572 5NUE NAD 10.8434
573 5NUF NAD 10.8434
574 5BRT FAD 10.8883
575 5BRT CH9 10.8883
576 5TWB FAD 11.0465
577 2F1K NAP 11.1111
578 3C7A NAD 11.1748
579 1REO FAD 11.1748
580 5ZYN FAD 11.1748
581 1F06 2NP 11.25
582 1F06 NDP 11.25
583 5L95 AMP 11.25
584 4GUS FAD 11.2903
585 4GUT FAD 11.2903
586 4HSU FAD 11.2903
587 5XVH NAP 11.4379
588 5EOW FAD 11.4613
589 2IID PHE 11.4613
590 2IID FAD 11.4613
591 4YSX FAD 11.4613
592 2GAG FAD 11.4613
593 2GAG FOA 11.4613
594 2A92 NAI 11.5265
595 2HK9 ATR 11.6364
596 2HK9 NAP 11.6364
597 2DM6 NAP 11.7117
598 2DM6 IMN 11.7117
599 1FEC FAD 11.7479
600 1H82 GZZ 11.7479
601 1H82 FAD 11.7479
602 3O94 NCA 11.8483
603 1ZH8 NAP 12.0344
604 4UP3 FAD 12.4204
605 4UP3 NDP 12.4204
606 2F5Z FAD 12.5
607 5EIN NAP 12.6074
608 1WDK NAD 12.6074
609 6C4T NA7 12.6074
610 1JNR FAD 12.6667
611 1OMO NAD 12.7329
612 1SC6 NAD 13.1805
613 5KOX FAD 13.1805
614 5KOX RFP 13.1805
615 1PVS 7HP 13.8298
616 2PV7 NAD 14.094
617 4CLO XP0 14.2361
618 3BMN AX3 14.2361
619 3BMO AX4 14.2361
620 4A59 AMP 14.239
621 3V1Y NAD 14.8368
622 1J49 NAD 15.3153
623 3RNM FAD 15.5172
624 3B1J NAD 16
625 5XWC 2IT 16.3324
626 5XWC 8GL 16.3324
627 5XWC NAP 16.3324
628 1P0F NAP 18.0516
629 2QA1 FAD 20.3438
630 1LSS NAD 22.8571
631 2VOH CIT 23.0769
632 5MZI FAD 25.2149
633 5MZI FYK 25.2149
634 5Y77 FAD 25.5014
635 5ODQ FAD 30.7143
Pocket No.: 4; Query (leader) PDB : 1WPQ; Ligand: NAD; Similar sites found with APoc: 34
This union binding pocket(no: 4) in the query (biounit: 1wpq.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3RC1 NAP 1.7192
2 6EL3 NAP 2.00573
3 4KOA NDP 2.1021
4 1M3U KPL 2.27273
5 1V35 NAI 2.29226
6 5MQ6 NDP 2.5788
7 1I2B USQ 2.86533
8 1I2B NAD 2.86533
9 1I2B UPG 2.86533
10 1PN0 FAD 2.86533
11 4DE2 DN3 3.04183
12 6EGU 43Y 3.4384
13 1TRD PGH 3.6
14 2FMD MAN MAN 3.75
15 1UPR 4IP 4.06504
16 5OF1 SAL 4.28571
17 6ER9 NAP 4.58453
18 5FFF NAP 4.66926
19 1B8U NAD 4.86322
20 1UI0 URA 4.87805
21 5YSS NAD 5.07812
22 2ZWI C5P 5.15759
23 4B9E FAH 5.64784
24 1XKQ NDP 6.42857
25 2GUD BMA 6.55738
26 2GUC MAN 6.55738
27 4URN NOV 7.55556
28 1RKX NAD 7.73639
29 2YVJ NAI 8.25688
30 2Q2V NAD 9.01961
31 1VL1 CIT 12.5
32 1W8S FBP 12.9278
33 4CME KTZ 14.2361
34 3O5N BR0 25
APoc FAQ
Feedback