Receptor
PDB id Resolution Class Description Source Keywords
3P0K 1.47 Å EC: 1.8.3.2 STRUCTURE OF BACULOVIRUS SULFHYDRYL OXIDASE AC92 AUTOGRAPHA CALIFORNICA NUCLEOPOLYHEDROORGANISM_COMMON: ACMNPV 4-HELIX BUNDLE 5-HELIX BUNDLE FLAVIN ADENINE DINUCLEOTIDESULFHYDRYL OXIDASE OXIDOREDUCTASE VIRAL PROTEIN
Ref.: STRUCTURE OF A BACULOVIRUS SULFHYDRYL OXIDASE, A HI DIVERGENT MEMBER OF THE ERV FLAVOENZYME FAMILY. J.VIROL. V. 85 9406 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:267;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
FAD A:334;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
IMD A:266;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P0K 1.47 Å EC: 1.8.3.2 STRUCTURE OF BACULOVIRUS SULFHYDRYL OXIDASE AC92 AUTOGRAPHA CALIFORNICA NUCLEOPOLYHEDROORGANISM_COMMON: ACMNPV 4-HELIX BUNDLE 5-HELIX BUNDLE FLAVIN ADENINE DINUCLEOTIDESULFHYDRYL OXIDASE OXIDOREDUCTASE VIRAL PROTEIN
Ref.: STRUCTURE OF A BACULOVIRUS SULFHYDRYL OXIDASE, A HI DIVERGENT MEMBER OF THE ERV FLAVOENZYME FAMILY. J.VIROL. V. 85 9406 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3QZY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3P0K - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3UST - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3QZY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3P0K - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3UST - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3QZY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3P0K - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P0K; Ligand: FAD; Similar sites found with Apoc: 160
This union binding pocket(no: 1) in the query (biounit: 3p0k.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 5L8N 6RQ None
3 5NNT DPV None
4 4F4S EFO None
5 3B6C SDN 1.28205
6 1OW4 2AN 1.55039
7 3AQT RCO 1.63265
8 6CB2 OLC 1.8797
9 5AZC PGT 1.8797
10 3W54 RNB 1.8797
11 6CS8 F9Y 1.8797
12 3IIS PID 1.98676
13 2WOR 2AN 2
14 4F06 PHB 2.25564
15 5CX6 CDP 2.25564
16 2I0G I0G 2.33463
17 1DTL BEP 2.48447
18 1TV5 N8E 2.63158
19 2CIX CEJ 2.63158
20 2O1V ADP 2.63158
21 5B0W 22B 2.63158
22 5Z3I ADE 2.64151
23 1J1R ADE 2.68199
24 4V3I ASP LEU THR ARG PRO 2.72374
25 2D5Z L35 2.83688
26 2VWA PTY 2.9703
27 1D1G MTX 2.97619
28 3X01 AMP 3.00752
29 2GWH PCI 3.00752
30 6BR9 6OU 3.00752
31 3L24 GOA 3.00752
32 5E70 RCD 3.00752
33 6BR9 PGV 3.00752
34 2RH1 CLR 3.00752
35 3DFR MTX 3.08642
36 3IA4 MTX 3.08642
37 3ZVS MLI 3.125
38 2Q4X HMH 3.16742
39 2F2G HMH 3.16742
40 6BR8 6OU 3.1746
41 6BR8 PGV 3.1746
42 5AAV GW5 3.1746
43 3KU0 ADE 3.18725
44 3RWP ABQ 3.38346
45 3LN0 52B 3.38346
46 2VDY HCY 3.38346
47 4DE3 DN8 3.42205
48 4LSJ LSJ 3.48837
49 4ELG 52I 3.61446
50 4ELG 52J 3.61446
51 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.7594
52 1E4I NFG 3.7594
53 4LY9 1YY 3.7594
54 4LY9 S6P 3.7594
55 3LXI CAM 3.7594
56 1XVB 3BR 3.7594
57 6D28 NEC 3.7594
58 3E85 BSU 3.79747
59 4WGF HX2 3.90244
60 3KO0 TFP 3.9604
61 3KP6 SAL 3.97351
62 5J47 6JJ 4.13534
63 5OSW DIU 4.13534
64 6DIO CIT 4.13534
65 5OSW AE4 4.13534
66 6GSG RCO 4.13534
67 3GQT UFO 4.13534
68 4RW3 PLM 4.13534
69 3IX9 MTX 4.21053
70 4MGA 27L 4.31373
71 4MG9 27K 4.31373
72 4MGB XDH 4.31373
73 2BJ4 OHT 4.36508
74 4TV1 36M 4.38247
75 3UUA 0CZ 4.38247
76 3EWK FAD 4.40529
77 4G86 BNT 4.51128
78 3B99 U51 4.51128
79 4EKQ NPO 4.81283
80 3NB0 G6P 4.88722
81 2BP1 FLC 4.88722
82 3KMZ EQO 4.88722
83 1JR8 FAD 5.12821
84 3ZQE DXC 5.26316
85 3O01 DXC 5.26316
86 5IUY BOG 5.26316
87 5V4R MGT 5.55556
88 1OQC FAD 5.6
89 3AHQ FAD 5.6391
90 3FAL REA 5.6391
91 1XZ3 ICF 5.74713
92 1NF8 BOG 5.7971
93 4MRP GSH 6.01504
94 5LX9 OLB 6.01504
95 4IN9 SER TRP PHE PRO 6.0241
96 5URY PAM 6.16438
97 1NU4 MLA 6.18557
98 2JHP GUN 6.39098
99 2HHP FLC 6.39098
100 4RYV ZEA 6.45161
101 2BHW NEX 6.46552
102 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.69456
103 5WL1 D3D 7.07071
104 5WL1 CUY 7.07071
105 4URN NOV 7.11111
106 3B9Z CO2 7.14286
107 1R6N 434 7.14286
108 4K90 MLA 7.44186
109 5CX8 TG6 7.5188
110 4RJD TFP 7.57576
111 5M36 9SZ 7.86026
112 4OKD GLC GLC GLC 7.89474
113 2UW1 GVM 7.89474
114 5OCA 9QZ 7.93651
115 2HJ3 FAD 8
116 5CHR 4NC 8.0292
117 3HP9 CF1 8.27068
118 6CGN DA 9.02256
119 2BCG GER 9.02256
120 4I90 CHT 9.3985
121 1YC4 43P 9.4697
122 4Y9J UCC 9.77444
123 4YV5 SVR 9.83607
124 2F7A BEZ 9.91379
125 2GJ3 FAD 10
126 4HBM 0Y7 10
127 5G48 1FL 10.1504
128 4OGQ UMQ 10.3448
129 4OGQ 7PH 10.3448
130 2QES ADE 10.3448
131 5C1M OLC 10.4
132 5LXT GDP 10.5263
133 3ZOK GLY 10.9023
134 4YSX E23 10.9929
135 5X3R 7Y3 11.2195
136 2Y69 CHD 11.4286
137 1C5C TK4 11.6279
138 5UC4 83S 11.8182
139 4OAS 2SW 12.5
140 2RKN LP3 12.987
141 3E70 GDP 13.5338
142 4URX FK1 13.5338
143 6C0B PAM 13.5338
144 6BVM EBV 13.5338
145 4LH7 NMN 13.5338
146 6BVL EBY 13.5338
147 6BVK EAV 13.5338
148 6BVJ EAS 13.5338
149 1RV1 IMZ 14.1176
150 1M2Z BOG 14.2857
151 3EYK EYK 14.5349
152 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 14.7541
153 1HBK MYR 15.7303
154 1LNX URI 16.0494
155 5DKK FMN 17.2414
156 5W97 CHD 17.3913
157 5ZCO CHD 17.3913
158 5Z84 CHD 17.3913
159 2Q4G CIT 19.5489
160 3M31 FAD 20.3008
Pocket No.: 2; Query (leader) PDB : 3P0K; Ligand: FAD; Similar sites found with Apoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3p0k.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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