Receptor
PDB id Resolution Class Description Source Keywords
2GTE 1.4 Å NON-ENZYME: BINDING DROSOPHILA OBP LUSH BOUND TO ATTRACTANT PHEROMONE 11-CIS- VACCENYL ACETATE DROSOPHILA MELANOGASTER PHEROMONE BINDING PROTEIN ODORANT BINDING PROTEIN PHEROMONE TRANSPORT PROTEIN
Ref.: ACTIVATION OF PHEROMONE-SENSITIVE NEURONS IS MEDIATED BY CONFORMATIONAL ACTIVATION OF PHEROMONE-BINDING PROTEIN CELL(CAMBRIDGE,MASS.) V. 133 1255 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:503;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
VA A:501;
B:502;
 Valid;
Valid;
 none;
none;
 submit data
310.515 C20 H38 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GTE 1.4 Å NON-ENZYME: BINDING DROSOPHILA OBP LUSH BOUND TO ATTRACTANT PHEROMONE 11-CIS- VACCENYL ACETATE DROSOPHILA MELANOGASTER PHEROMONE BINDING PROTEIN ODORANT BINDING PROTEIN PHEROMONE TRANSPORT PROTEIN
Ref.: ACTIVATION OF PHEROMONE-SENSITIVE NEURONS IS MEDIATED BY CONFORMATIONAL ACTIVATION OF PHEROMONE-BINDING PROTEIN CELL(CAMBRIDGE,MASS.) V. 133 1255 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2GTE - VA C20 H38 O2 CCCCCCC=C/....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2GTE - VA C20 H38 O2 CCCCCCC=C/....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2GTE - VA C20 H38 O2 CCCCCCC=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VA; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 VA 1 1
2 MPG 0.557692 0.617647
3 PAM 0.511111 0.692308
4 VCA 0.511111 0.692308
5 OLA 0.478261 0.692308
6 NER 0.478261 0.692308
7 ELA 0.478261 0.692308
8 MVC 0.431034 0.617647
9 MYZ 0.425532 0.653846
10 CYS HIS GLY VAL SER GLY SER CYS PAM 0.423729 0.677419
11 3X1 0.413043 0.708333
12 CNS 0.408163 0.954545
13 6UL 0.408163 0.954545
14 OLB 0.40678 0.617647
15 OLC 0.40678 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GTE; Ligand: VA; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2gte.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.003561 0.46892 None
2 1KQR MNA 0.005826 0.44978 None
3 1UO4 PIH 0.007426 0.43612 None
4 4DS0 A2G GAL NAG FUC 0.01556 0.41262 None
5 2J5S KTA 0.02494 0.40703 None
6 4INB 1F6 0.006464 0.40535 None
7 4UCC ZKW 0.02658 0.40447 None
8 2ALG HP6 0.005722 0.40442 None
9 5O4F 8VE 0.02565 0.40227 None
10 1EB9 HBA 0.01916 0.40095 None
11 3E5P PPI 0.01067 0.41692 1.6129
12 1OW4 2AN 0.001858 0.45474 2.41935
13 3GQT UFO 0.007006 0.42205 2.41935
14 1XDN ATP 0.01571 0.40147 2.41935
15 1DR1 HBI 0.008169 0.40872 3.22581
16 1DR1 NAP 0.008169 0.40872 3.22581
17 3HCN CHD 0.0143 0.40636 3.22581
18 2VWA PTY 0.01444 0.41289 3.9604
19 4ORM FMN 0.006988 0.43063 4.03226
20 4ORM ORO 0.006988 0.43063 4.03226
21 4ORM 2V6 0.006988 0.43063 4.03226
22 3RV5 DXC 0.0152 0.43653 4.49438
23 3KYQ DPV 0.02285 0.40902 4.52261
24 2YLD CMO 0.01071 0.42878 4.83871
25 1BRW URA 0.01484 0.42063 4.83871
26 2FR6 URI 0.01689 0.40361 4.83871
27 4MPO AMP 0.04393 0.40252 4.83871
28 4JOB TLA 0.01126 0.43372 5.64516
29 4O4Z N2O 0.01643 0.42188 5.64516
30 4RW3 TDA 0.02145 0.41594 5.64516
31 3MBC NAP 0.03285 0.40349 5.64516
32 3ZVS MLI 0.03274 0.40082 5.64516
33 1SGJ OAA 0.005148 0.42969 6.45161
34 5MOB A8S 0.01296 0.41313 6.45161
35 3HYW DCQ 0.03083 0.40576 6.45161
36 3TDC 0EU 0.01444 0.44693 7.25806
37 4MRP GSH 0.04628 0.40745 7.25806
38 3B6O TMP 0.03149 0.40171 7.25806
39 4CDN FO1 0.009941 0.40042 7.25806
40 3MB3 MB3 0.008085 0.42125 8.06452
41 1GVE CIT 0.01306 0.41947 8.06452
42 2ZZV LAC 0.02089 0.41096 8.06452
43 4C2C ALA ALA ALA 0.03099 0.41084 8.06452
44 2INV FRU FRU 0.01179 0.4264 8.87097
45 1UZ4 IFL 0.0352 0.40239 8.87097
46 3WFD AXO 0.001535 0.44083 9.67742
47 1J78 VDY 0.01298 0.41733 9.67742
48 3KO0 TFP 0.01851 0.42347 9.90099
49 4OMJ 2TX 0.006737 0.40666 10.4839
50 5LGA 6VH 0.003585 0.42069 12.0968
51 3UUA 0CZ 0.01077 0.4171 12.0968
52 3UU7 2OH 0.02661 0.40584 12.0968
53 1LOX RS7 0.01086 0.40542 12.0968
54 4MG8 27J 0.01667 0.40026 12.0968
55 5CSD ACD 0.008806 0.40518 12.9032
56 5U98 1KX 0.0119 0.4167 13.7097
57 2Q4X HMH 0.02305 0.41147 13.7097
58 2F2G HMH 0.02727 0.40631 13.7097
59 5EXA 5SO 0.02749 0.40073 16.9355
60 1MT1 AG2 0.02592 0.41023 19.2308
61 1H0A I3P 0.03599 0.40021 29.8387
Pocket No.: 2; Query (leader) PDB : 2GTE; Ligand: VA; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 2gte.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QES ADE 0.005445 0.44442 None
2 1VHZ APR 0.01334 0.42463 None
3 3KU0 ADE 0.01182 0.42455 None
4 4IDT T28 0.007092 0.41232 None
5 4RJD TFP 0.01831 0.4115 None
6 4XBT FLC 0.009992 0.40915 None
7 3R9V DXC 0.02473 0.40555 None
8 3UNG ADP 0.008558 0.43237 3.22581
9 3OBT SLB 0.01825 0.40103 3.22581
10 4JYM KKN 0.01417 0.42142 4.03226
11 3W9F I3P 0.03094 0.41078 4.03226
12 2OI2 DP6 0.01839 0.40028 4.83871
13 3G5D 1N1 0.02264 0.40369 7.25806
14 4N7C AEF 0.03021 0.40012 7.25806
15 5HCN DAO 0.02311 0.40724 8.06452
16 4ZM4 P3B 0.007634 0.4006 9.67742
17 4JGT PYR 0.002965 0.45687 11.2903
18 5DA3 58V 0.01939 0.40293 12.0968
19 2BYC FMN 0.01077 0.40762 13.7097
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