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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 510 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 391 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 298 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 NER 0.478261 0.692308
6 OLA 0.478261 0.692308
7 ELA 0.478261 0.692308
8 MVC 0.431034 0.617647
9 MYZ 0.425532 0.653846
10 3X1 0.413043 0.708333
11 CNS 0.408163 0.954545
12 CUY 0.408163 0.954545
13 6UL 0.408163 0.954545
14 OLC 0.40678 0.617647
15 OLB 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 with APoc: 158
This union binding pocket(no: 1) in the query (biounit: 2gte.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 5ET3 60C None
3 1KQR MNA None
4 2P3I MNA None
5 1UO4 PIH None
6 3E70 GDP None
7 5NNT DPV None
8 2W9S TOP None
9 4WG0 CHD None
10 4DS0 A2G GAL NAG FUC None
11 3G4Q MCH None
12 1YRX FMN None
13 5N1P 8GK None
14 3KP6 SAL None
15 2J5S KTA None
16 4INB 1F6 None
17 3B8I OXL None
18 4UCC ZKW None
19 5KAU RHQ None
20 1EB9 HBA None
21 4D3S BOG None
22 5HQ8 SAH 1.6129
23 3E5P PPI 1.6129
24 3U1T MLI 1.6129
25 3W9R A8S 1.6129
26 1NU4 MLA 2.06186
27 4WGF HX2 2.41935
28 1OW4 2AN 2.41935
29 3GQT UFO 2.41935
30 2EVL GAL SPH EIC 2.41935
31 1ZED PNP 2.41935
32 6BMM OLB 2.41935
33 1XDN ATP 2.41935
34 1R6N 434 3.22581
35 3NJQ NJQ 3.22581
36 1DR1 HBI 3.22581
37 1DR1 NAP 3.22581
38 3HCN CHD 3.22581
39 4TUZ 36J 3.22581
40 5FH7 5XL 3.22581
41 2VWA PTY 3.9604
42 4URX FK1 4.03226
43 1M2Z BOG 4.03226
44 5W7B MYR 4.03226
45 4ORM ORO 4.03226
46 4ORM FMN 4.03226
47 4ORM 2V6 4.03226
48 6BVM EBV 4.03226
49 2CIX CEJ 4.03226
50 6BVK EAV 4.03226
51 1YUM NCN 4.03226
52 4F06 PHB 4.03226
53 6BVJ EAS 4.03226
54 6BVL EBY 4.03226
55 6BVI EC4 4.03226
56 3RV5 DXC 4.49438
57 3KYQ DPV 4.52261
58 5LX9 OLB 4.83871
59 2YLD CMO 4.83871
60 3QXY SAM 4.83871
61 1BRW URA 4.83871
62 3KJS DQ1 4.83871
63 6GNO XDI 4.83871
64 1UOU CMU 4.83871
65 2FR6 URI 4.83871
66 4MPO AMP 4.83871
67 4JOB TLA 5.64516
68 5EO8 TFU 5.64516
69 6CGN DA 5.64516
70 3W5N RAM 5.64516
71 4RW3 TDA 5.64516
72 5EXK 5AD 5.64516
73 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.64516
74 3A76 SPD 5.64516
75 5X13 HC4 5.64516
76 5EW9 5VC 5.64516
77 3MBC NAP 5.64516
78 4O4Z N2O 5.64516
79 3ZVS MLI 5.64516
80 1SGJ OAA 6.45161
81 5MOB A8S 6.45161
82 5Z7B VNL 6.45161
83 4Z7X 3CX 6.45161
84 3HYW DCQ 6.45161
85 3TFC PEP 6.45161
86 4HBM 0Y7 6.66667
87 4LO6 SIA GAL 7.25806
88 3TDC 0EU 7.25806
89 5AZC PGT 7.25806
90 6BR8 PGV 7.25806
91 4MRP GSH 7.25806
92 2C3Q GTX 7.25806
93 3B6O TMP 7.25806
94 2P4Y C03 7.25806
95 4CDN FO1 7.25806
96 3MB3 MB3 8.06452
97 1GVE CIT 8.06452
98 5N5U AMP 8.06452
99 2ZZV LAC 8.06452
100 4C2C ALA ALA ALA 8.06452
101 1XVB BHL 8.06452
102 4Y2B EPK 8.06452
103 5LWY OLB 8.40336
104 5N26 CPT 8.87097
105 2INV FRU FRU 8.87097
106 4BXK 1IU 8.87097
107 5FUW THM 8.87097
108 1NVM OXL 8.87097
109 5OLK DTP 8.87097
110 3SVL FMN 8.87097
111 1UZ4 IFL 8.87097
112 3CQO FUC 8.87097
113 3WFD AXO 9.67742
114 3RMK BML 9.67742
115 1J78 VDY 9.67742
116 5X20 AOT 9.67742
117 5YZ2 AMP 9.67742
118 3KO0 TFP 9.90099
119 5UGW GSH 10.4839
120 5WHT SIA 10.4839
121 3AQT RCO 10.4839
122 1OLM VTQ 10.4839
123 4OGQ 1O2 10.4839
124 4OMJ 2TX 10.4839
125 1TO9 HMH 11.2903
126 6GMN F4E 12.0968
127 6CGZ HL6 12.0968
128 5LGA 6VH 12.0968
129 4Q0A 4OA 12.0968
130 3UUA 0CZ 12.0968
131 3N71 SFG 12.0968
132 6G5Q EMZ 12.0968
133 3UU7 2OH 12.0968
134 1LOX RS7 12.0968
135 4MGB XDH 12.0968
136 4MG8 27J 12.0968
137 5CSD ACD 12.9032
138 5OSW DIU 12.9032
139 2D5X L35 13.6986
140 4CA5 3EF 13.7097
141 3O01 DXC 13.7097
142 2Q4X HMH 13.7097
143 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 13.7097
144 2F2G HMH 13.7097
145 2GWH PCI 15.3226
146 5M36 9SZ 16.9355
147 5EXA 5SO 16.9355
148 2Y69 CHD 17.5676
149 5Z84 CHD 17.8082
150 5ZCO CHD 17.8082
151 5ZCO PEK 17.8082
152 1MT1 AG2 19.2308
153 4OFJ HIS 21.7742
154 6FBA D48 21.7742
155 5ABX MGP 26.8293
156 3TKY N7I 29.0323
157 3S0E EOL 29.4118
158 1H0A I3P 29.8387
Pocket No.: 2; Query (leader) PDB : 2GTE; Ligand: VA; Similar sites found with APoc: 47
This union binding pocket(no: 2) in the query (biounit: 2gte.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2QES ADE None
2 1VHZ APR None
3 3KU0 ADE None
4 4IDT T28 None
5 4RJD TFP None
6 3R9V DXC None
7 1QCI ADE 2.41935
8 5AEW BNL 2.41935
9 3UNG ADP 3.22581
10 3OBT SLB 3.22581
11 1J1R ADE 4.03226
12 4YMU ARG 4.03226
13 4JYM KKN 4.03226
14 3RG9 NDP 4.03226
15 3W9F I3P 4.03226
16 6C1S EFV 4.83871
17 3KAL HGS 4.83871
18 5TZO 7V7 4.83871
19 5AA4 6X4 4.83871
20 1IUP ALQ 4.83871
21 4P05 4NS 4.83871
22 2OI2 DP6 4.83871
23 5KBF CMP 5.64516
24 2OZ5 7XY 6.45161
25 1ML4 PAL 6.45161
26 4KSY 1SY 6.45161
27 4QGE 35O 7.25806
28 4N7C AEF 7.25806
29 4JX1 CAM 8.06452
30 4B16 NAG 8.06452
31 4JX1 CAH 8.06452
32 5HCN DAO 8.06452
33 5JGA 6KC 8.06452
34 5C1M OLC 9.67742
35 2D3Y DU 9.67742
36 4ZM4 P3B 9.67742
37 1YKD CMP 10.4839
38 4JGT PYR 11.2903
39 4MGD 27N 12.0968
40 1DTL BEP 12.9032
41 1VRP IOM 12.9032
42 2BYC FMN 13.7097
43 1WD4 AHR 15.3226
44 5BYK A3P 15.3226
45 5BYK OAQ 15.3226
46 1JAY F42 16.9355
47 3C3D FO1 17.7419
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