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Receptor
PDB id Resolution Class Description Source Keywords
3UST 2.1 Å NON-ENZYME: OTHER STRUCTURE OF BMNPV ORF075 (P33) BOMBYX MORI NPV SULFHYDRYL OXIDASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF BOMBYX MORI NUCLEOPOLYHEDROVIR REVEALS A PSEUDO-DIMER OF THIOL OXIDASE DOMAINS WIT PUTATIVE SUBSTRATE-BINDING POCKET J.GEN.VIROL. V. 93 2142 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:266;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UST 2.1 Å NON-ENZYME: OTHER STRUCTURE OF BMNPV ORF075 (P33) BOMBYX MORI NPV SULFHYDRYL OXIDASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF BOMBYX MORI NUCLEOPOLYHEDROVIR REVEALS A PSEUDO-DIMER OF THIOL OXIDASE DOMAINS WIT PUTATIVE SUBSTRATE-BINDING POCKET J.GEN.VIROL. V. 93 2142 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3UST - 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 : 3UST; Ligand: FAD; Similar sites found with APoc: 95
This union binding pocket(no: 1) in the query (biounit: 3ust.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 2GJ3 FAD None
3 1MID LAP None
4 4F4S EFO None
5 1GVE CIT 1.1236
6 2VDY HCY 1.1236
7 3V66 D3A 1.1236
8 1D1G MTX 1.19048
9 6CB2 OLC 1.49813
10 4DE3 DN8 1.52091
11 3DFR MTX 1.85185
12 2V95 HCY 1.87266
13 3W54 RNB 1.87266
14 3WYJ H78 1.97628
15 3MBG FAD 2.15827
16 1E4I NFG 2.24719
17 4LSJ LSJ 2.32558
18 2I0G I0G 2.33463
19 3U5S FAD 2.38095
20 3O55 FAD 2.4
21 3X01 AMP 2.62172
22 1TV5 N8E 2.62172
23 1UUO BRF 2.62172
24 1J1R ADE 2.68199
25 5XJD 87L 2.72727
26 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.99625
27 4LY9 1YY 2.99625
28 4LY9 S6P 2.99625
29 5G48 1FL 2.99625
30 3IIS PID 3.31126
31 4EKQ NPO 3.37079
32 3IA4 MTX 3.7037
33 3HP9 CF1 3.74532
34 1K7L 544 3.74532
35 3M31 FAD 3.74532
36 2NPA MMB 3.74532
37 4NE2 SH2 3.74532
38 4WH9 3M8 3.82514
39 3KP6 SAL 3.97351
40 4TV1 36M 3.98406
41 5FYR INS 4.02685
42 2QE4 JJ3 4.03226
43 2HHP FLC 4.11985
44 4RW3 PLM 4.11985
45 5O7E 9NB 4.11985
46 3IX9 MTX 4.21053
47 4ELG 52I 4.21687
48 4ELG 52J 4.21687
49 5ECP JAA 4.49438
50 5ECP MET 4.49438
51 3NB0 G6P 4.86891
52 4MRP GSH 4.86891
53 5W7B MYR 4.96454
54 1OQC FAD 5.6
55 3AHQ FAD 5.61798
56 4DHY S41 5.61798
57 3FAL REA 5.6391
58 2Y69 CHD 5.92105
59 4URX FK1 5.99251
60 6BVM EBV 5.99251
61 6BVK EAV 5.99251
62 6BVJ EAS 5.99251
63 5LX9 OLB 5.99251
64 6BVL EBY 5.99251
65 6BVI EC4 5.99251
66 3GWN FAD 6.14035
67 3VRV YSD 6.36704
68 2BHW NEX 6.89655
69 5U98 1KX 7.07071
70 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 7.07071
71 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 7.11611
72 1NF8 BOG 7.72947
73 4OKD GLC GLC GLC 7.86517
74 5OCA 9QZ 7.93651
75 3QUZ QUV 8.08081
76 5Z84 CHD 8.25688
77 5W97 CHD 8.25688
78 5ZCO CHD 8.25688
79 2BCG GER 8.61423
80 4OGQ 7PH 8.82353
81 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 8.98876
82 4I90 CHT 9.3633
83 4WT2 3UD 10.4762
84 1T0S BML 10.4869
85 5X3R 7Y3 10.7317
86 3QCP FAD 11.236
87 1HBK COA 11.236
88 6C0B PAM 12.3596
89 1LTT GAL BGC 12.6214
90 1LTI GAL 12.6214
91 3T58 FAD 13.1086
92 3LLI FAD 13.41
93 1JR8 FAD 15.3846
94 3GWL FAD 16.9811
95 2HJ3 FAD 17.6
Pocket No.: 2; Query (leader) PDB : 3UST; 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: 3ust.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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