Receptor
PDB id Resolution Class Description Source Keywords
3D72 1.65 Å NON-ENZYME: OTHER 1.65 ANGSTROM CRYSTAL STRUCTURE OF THE CYS71VAL VARIANT IN THE FUNGAL PHOTORECEPTOR VVD NEUROSPORA CRASSA CIRCADIAN PHOTORECEPTOR BLUE-LIGHT LOV PAS VVD SIGNALING PROTEIN
Ref.: LIGHT ACTIVATION OF THE LOV PROTEIN VIVID GENERATES A RAPIDLY EXCHANGING DIMER. BIOCHEMISTRY V. 47 7012 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:201;
B:201;
Valid;
Valid;
none;
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
3D72 1.65 Å NON-ENZYME: OTHER 1.65 ANGSTROM CRYSTAL STRUCTURE OF THE CYS71VAL VARIANT IN THE FUNGAL PHOTORECEPTOR VVD NEUROSPORA CRASSA CIRCADIAN PHOTORECEPTOR BLUE-LIGHT LOV PAS VVD SIGNALING PROTEIN
Ref.: LIGHT ACTIVATION OF THE LOV PROTEIN VIVID GENERATES A RAPIDLY EXCHANGING DIMER. BIOCHEMISTRY V. 47 7012 2008
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2PD8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3HJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2PDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3HJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2PD7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3D72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2PD8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3HJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2PDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3HJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2PD7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3D72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2PD8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3HJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2PDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3HJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2PD7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3D72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4WUJ - FMN C17 H21 N4 O9 P 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 : 3D72; Ligand: FAD; 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: 3d72.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3D72; Ligand: FAD; Similar sites found: 52
This union binding pocket(no: 2) in the query (biounit: 3d72.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DZK PRZ 0.002723 0.44219 None
2 4GGZ BTN 0.01395 0.4198 None
3 1I7A PHE 0.01405 0.40502 None
4 5E89 TD2 0.01713 0.40443 None
5 4JNJ BTN 0.01636 0.40882 1.73913
6 3QCQ 3Q0 0.008373 0.42138 2.01342
7 2HFN FMN 0.00209 0.44346 3.3557
8 4MG8 27J 0.01046 0.41823 3.3557
9 3IX9 MTX 0.01388 0.41598 3.3557
10 4MGD 27N 0.01804 0.40676 3.3557
11 3VV5 SLZ 0.03061 0.40241 3.3557
12 1NF8 BOG 0.003653 0.47213 4.02685
13 4L80 OXL 0.002588 0.46758 4.02685
14 1ZOY UQ1 0.005048 0.45446 4.02685
15 2WA4 069 0.002917 0.44946 4.02685
16 2OVW CBI 0.01128 0.43339 4.02685
17 3PUR 2HG 0.001442 0.48404 4.69799
18 4OKD GLC GLC GLC 0.03276 0.41276 4.69799
19 1D8C SOR 0.01648 0.40145 4.69799
20 1YRX FMN 0.00151 0.45426 4.95868
21 4JH6 FCN 0.008112 0.43622 5.07246
22 4L6H HCS 0.01856 0.42207 5.36913
23 5TVM PUT 0.03313 0.40429 5.36913
24 1TV5 N8E 0.002659 0.46675 6.04027
25 2C9O ADP 0.004775 0.41985 6.04027
26 3T58 FAD 0.002988 0.40219 6.04027
27 4N14 WR7 0.002171 0.46121 6.71141
28 2XN5 FUN 0.008362 0.43107 6.71141
29 5LX9 OLB 0.0129 0.41381 6.71141
30 1C1L GAL BGC 0.02315 0.41546 7.29927
31 2QES ADE 0.04362 0.40786 7.38255
32 3GQT UFO 0.02816 0.4007 7.38255
33 3W54 RNB 0.0086 0.41508 8.05369
34 4Z28 BTN 0.02306 0.4087 8.20895
35 1EPB REA 0.001102 0.46071 8.72483
36 1M2Z BOG 0.007609 0.44611 8.72483
37 5U9J GER 0.001662 0.47187 9.39597
38 4RW3 PLM 0.02792 0.41779 10.0671
39 4FFG LBS 0.01964 0.41233 11.4094
40 3D91 REM 0.01362 0.4014 16.1074
41 3KV4 OGA 0.04602 0.40046 18.7919
42 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007495 0.46229 20.1342
43 3B6R ADP 0.007958 0.42021 20.1342
44 3EWK FAD 0.00003901 0.43729 28.8591
45 4GCZ FMN 0.00000000000002409 0.69558 39.5973
46 4R38 RBF 0.0000000000008833 0.66259 44.2857
47 2Z6D FMN 0.0000000000001126 0.67955 45.3846
48 2WKQ FMN 0.000000000000234 0.88888 45.6376
49 2GJ3 FAD 0.000003793 0.46551 45.8333
50 2PR5 FMN 0.0000000000000403 0.92337 46.2121
51 2Z6C FMN 0.0000000000002386 0.67151 48.062
52 3T50 FMN 0.00000000000008593 0.90852 48.4375
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