Receptor
PDB id Resolution Class Description Source Keywords
2WCM 1.5 Å NON-ENZYME: BINDING STRUCTURE OF BMORI GOBP2 (GENERAL ODORANT BINDING PROTEIN 2) WITH (10E)-HEXADECEN-12-YN-1-OL BOMBYX MORI ODORANT BINDING PROTEIN TRANSPORT PROTEIN OLFACTION TRANSPORT DISULFIDE BOND INSECT PHEREMONE SENSORY TRANSDUCTION
Ref.: CHARACTERISATION OF BOMBYX MORI ODORANT-BINDING PROTEINS REVEALS THAT A GENERAL ODORANT-BINDING PROTEIN DISCRIMINATES BETWEEN SEX PHEROMONE COMPONENTS. J.MOL.BIOL. V. 389 529 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B9M A:1143;
Valid;
none;
submit data
236.393 C16 H28 O CCCC#...
MG A:1142;
A:1144;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WCJ 1.4 Å NON-ENZYME: BINDING STRUCTURE OF BMORI GOBP2 (GENERAL ODORANT BINDING PROTEIN 2) WITH (10E,12Z)-TETRADECADIEN-1-OL BOMBYX MORI ODORANT BINDING PROTEIN TRANSPORT PROTEIN OLFACTION TRANSPORT DISULFIDE BOND INSECT PHEREMONE SENSORY TRANSDUCTION
Ref.: CHARACTERISATION OF BOMBYX MORI ODORANT-BINDING PROTEINS REVEALS THAT A GENERAL ODORANT-BINDING PROTEIN DISCRIMINATES BETWEEN SEX PHEROMONE COMPONENTS. J.MOL.BIOL. V. 389 529 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2WC5 - BOM C16 H30 O CCCC=C/C=C....
2 2WCH - B7M C16 H28 O CCCC=C/C=C....
3 2WC6 - BOM C16 H30 O CCCC=C/C=C....
4 2WCM - B9M C16 H28 O CCCC#CC=CC....
5 2WCJ - M21 C14 H26 O CC=C/C=C/C....
6 2WCL - B8M C16 H30 O CCCCCC=C/C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2WC5 - BOM C16 H30 O CCCC=C/C=C....
2 2WCH - B7M C16 H28 O CCCC=C/C=C....
3 2WC6 - BOM C16 H30 O CCCC=C/C=C....
4 2WCM - B9M C16 H28 O CCCC#CC=CC....
5 2WCJ - M21 C14 H26 O CC=C/C=C/C....
6 2WCL - B8M C16 H30 O CCCCCC=C/C....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
4 4INW - 1EY C16 H28 O CC/C=CC=C/....
5 4INX - 1EX C16 H30 O CC/C=CC=C/....
6 2WC5 - BOM C16 H30 O CCCC=C/C=C....
7 2WCH - B7M C16 H28 O CCCC=C/C=C....
8 2WC6 - BOM C16 H30 O CCCC=C/C=C....
9 2WCM - B9M C16 H28 O CCCC#CC=CC....
10 2WCJ - M21 C14 H26 O CC=C/C=C/C....
11 2WCL - B8M C16 H30 O CCCCCC=C/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: B9M; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 B9M 1 1
2 B8M 0.446809 0.875
3 BOM 0.4375 0.954545
4 1EX 0.408163 0.909091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WCJ; Ligand: M21; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 2wcj.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.00482 0.42153 None
2 3RET SAL 0.009075 0.41112 None
3 3RET PYR 0.009075 0.41112 None
4 1UO4 PIH 0.0342 0.41072 None
5 2A3I C0R 0.006301 0.401 None
6 1GEG GLC 0.005034 0.46416 2.12766
7 1SQL GUN 0.01395 0.41833 2.12766
8 1I0B PEL 0.04039 0.40385 2.12766
9 5UGW GSH 0.001553 0.45955 2.83688
10 3BPX SAL 0.01044 0.42787 2.83688
11 1OW4 2AN 0.008234 0.42125 3.10078
12 4N14 WR7 0.00466 0.43139 3.5461
13 5MBC FMN 0.01095 0.40367 3.5461
14 5CHR 4NC 0.01168 0.4262 3.64964
15 2WG9 OCA 0.01112 0.42375 3.84615
16 1A05 IPM 0.004584 0.44671 4.25532
17 4RW3 TDA 0.02951 0.41726 4.25532
18 3TL1 JRO 0.02488 0.40557 4.25532
19 2ET1 GLV 0.0291 0.40351 4.25532
20 4ZGM 32M 0.007234 0.4488 4.91803
21 3TDC 0EU 0.004914 0.47716 4.96454
22 5V4R MGT 0.01056 0.44026 4.96454
23 1I06 TZL 0.01403 0.41851 4.96454
24 3B9Z CO2 0.02953 0.40946 4.96454
25 4LSJ LSJ 0.003987 0.40267 4.96454
26 4RKK GLC GLC GLC GLC GLC GLC 0.01447 0.40161 4.96454
27 2YLD CMO 0.006899 0.43963 5.51181
28 4CCN OGA 0.01836 0.41344 5.67376
29 4DOL PLM 0.005879 0.41235 5.67376
30 4Y3O OGA 0.02357 0.40766 5.67376
31 1XX4 BAM 0.0465 0.40735 5.67376
32 3HYW DCQ 0.008463 0.43345 6.38298
33 2QL9 CIT 0.03543 0.40175 6.38298
34 4RQL SNE 0.02487 0.40145 6.38298
35 3KP6 SAL 0.008495 0.42837 7.0922
36 3BRN SRO 0.01563 0.41741 7.0922
37 3KDU NKS 0.006933 0.41468 7.0922
38 3OLL EST 0.006338 0.41455 7.0922
39 1U3R 338 0.007392 0.40789 7.0922
40 3CV2 COA 0.03602 0.40743 7.0922
41 2YJD YJD 0.00941 0.40669 7.0922
42 4J24 EST 0.01845 0.40021 7.0922
43 3EF0 ALF 0.02453 0.41083 7.80142
44 1MFI FHC 0.03131 0.40103 7.89474
45 2CJU PHX 0.0183 0.41001 7.9646
46 3AQT RCO 0.01437 0.42398 8.51064
47 5L6G XYP 0.03998 0.40132 8.51064
48 3KFF ZBT 0.003656 0.44873 9.92908
49 3KFF XBT 0.003656 0.44873 9.92908
50 3UUA 0CZ 0.002669 0.44526 9.92908
51 4MGD 27N 0.001842 0.4435 9.92908
52 4MG7 27H 0.001221 0.44285 9.92908
53 4MGA 27L 0.009453 0.43715 9.92908
54 5HYR EST 0.005265 0.42219 9.92908
55 4UCC ZKW 0.03408 0.41376 9.92908
56 4TV1 36M 0.01793 0.41299 9.92908
57 3UU7 2OH 0.01875 0.41197 9.92908
58 4MG8 27J 0.009833 0.40948 9.92908
59 4TUZ 36J 0.01235 0.4086 9.92908
60 4MRP GSH 0.03902 0.41458 10.6383
61 3RLF MAL 0.01992 0.40634 11.3475
62 3KO0 TFP 0.01033 0.42003 11.8812
63 4DK7 0KS 0.007105 0.40522 12.0567
64 3FAL REA 0.006616 0.41754 13.4752
65 1DKF OLA 0.007131 0.41602 13.4752
66 5FPN KYD 0.006884 0.41484 13.4752
67 5DXE EST 0.005081 0.42291 14.8936
68 3G58 988 0.01938 0.40294 14.8936
69 5DX3 EST 0.01763 0.40116 14.8936
70 3N7S 3N7 0.01575 0.42443 15.625
71 5MWE TCE 0.02049 0.40997 15.7143
72 2VWA PTY 0.0364 0.40087 15.8416
73 4J6C STR 0.0221 0.40405 16.3121
74 3KC1 2T6 0.002031 0.42903 17.7305
75 5L8N 6RQ 0.02131 0.40821 20.3125
76 5CX6 CDP 0.0246 0.40933 20.5674
77 4URX FK1 0.04023 0.41442 24.1135
78 2HHP FLC 0.04876 0.41124 26.2411
Feedback