Receptor
PDB id Resolution Class Description Source Keywords
3GWN 1.78 Å EC: 1.8.3.2 CRYSTAL STRUCTURE OF THE FAD BINDING DOMAIN FROM MIMIVIRUS S OXIDASE R596 ACANTHAMOEBA POLYPHAGA MIMIVIRUS FIVE HELIX BUNDLE HOMODIMER DISULFIDE BOND FAD FLAVOPROTOXIDOREDUCTASE VIRION
Ref.: DIMER INTERFACE MIGRATION IN A VIRAL SULFHYDRYL OXI J.MOL.BIOL. V. 391 758 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:334;
B:335;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL B:1;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1;
A:2;
B:3;
Invalid;
Invalid;
Invalid;
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
3GWN 1.78 Å EC: 1.8.3.2 CRYSTAL STRUCTURE OF THE FAD BINDING DOMAIN FROM MIMIVIRUS S OXIDASE R596 ACANTHAMOEBA POLYPHAGA MIMIVIRUS FIVE HELIX BUNDLE HOMODIMER DISULFIDE BOND FAD FLAVOPROTOXIDOREDUCTASE VIRION
Ref.: DIMER INTERFACE MIGRATION IN A VIRAL SULFHYDRYL OXI J.MOL.BIOL. V. 391 758 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3GWN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3GWN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3GWN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GWN; Ligand: FAD; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 3gwn.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.008466 0.42643 None
2 3IS2 FAD 0.005965 0.41287 None
3 5MGJ 7MX 0.01758 0.40752 None
4 2YJD YJD 0.008354 0.40561 None
5 3DFR MTX 0.01242 0.40513 None
6 3FAL LO2 0.01171 0.40378 None
7 1J78 OLA 0.01744 0.40079 2.63158
8 3VRV YSD 0.008311 0.42568 3.50877
9 4WGF HX2 0.01603 0.41851 3.50877
10 1DB1 VDX 0.0084 0.41144 3.50877
11 3F3E LEU 0.01413 0.40672 3.50877
12 5FS0 5JC 0.0204 0.40256 3.50877
13 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007055 0.446 4.38596
14 1QY8 RDI 0.005628 0.41338 4.38596
15 2WBP ARG 0.02538 0.41333 4.38596
16 5DKK FMN 0.003672 0.41061 4.38596
17 4OKD GLC GLC GLC 0.01516 0.42145 5.26316
18 3KMZ EQO 0.00603 0.41124 5.26316
19 3DCT 064 0.006819 0.40592 5.26316
20 1U7T TDT 0.01779 0.40591 5.26316
21 3UST FAD 0.000002958 0.51914 6.14035
22 1TV5 N8E 0.008386 0.43452 6.14035
23 4IGH 1EA 0.01615 0.42266 6.14035
24 4IGH ORO 0.01615 0.42266 6.14035
25 4IGH FMN 0.01615 0.42266 6.14035
26 4MGD 27N 0.005847 0.41653 6.14035
27 4MG8 27J 0.006325 0.41495 6.14035
28 5HYR EST 0.007043 0.41279 6.14035
29 5DXE EST 0.007423 0.41173 6.14035
30 4TUZ 36J 0.01167 0.40641 6.14035
31 5E7V M7E 0.01046 0.40344 6.14035
32 2Z7I 742 0.03341 0.40839 7.89474
33 5LX9 OLB 0.008955 0.40795 7.89474
34 4X8D AVI 0.008114 0.43688 8.77193
35 1MO9 FAD 0.04073 0.4098 8.77193
36 3KFC 61X 0.01041 0.40726 8.77193
37 4ZOM 4Q3 0.04279 0.40524 9.64912
38 1M2Z BOG 0.003182 0.47106 10.5263
39 3B9Z CO2 0.003701 0.45126 10.5263
40 1G0N NDP 0.0124 0.41031 10.5263
41 5OCA 9QZ 0.003729 0.45762 12.2807
42 1NF8 BOG 0.004997 0.44785 13.1579
43 4RLT FSE 0.006761 0.41766 14.0351
44 4YSX E23 0.02392 0.40325 14.0351
45 4QWT ACD 0.00398 0.41763 14.9123
46 3AHQ FAD 0.00005233 0.49326 16.6667
47 2CB8 MYA 0.01417 0.41752 17.2414
48 4RW3 SHV 0.004721 0.43986 20.1754
49 4QED NAP 0.004669 0.42029 21.0526
50 2Z9I GLY ALA THR VAL 0.0247 0.40957 21.9298
51 3M31 FAD 0.0007673 0.44522 23.6842
52 1JR8 FAD 0.0000000006887 0.70207 32.4561
53 1OQC FAD 0.000000002983 0.67797 34.2105
54 2HJ3 FAD 0.000000001368 0.66679 35.9649
Pocket No.: 2; Query (leader) PDB : 3GWN; Ligand: FAD; 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: 3gwn.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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