Receptor
PDB id Resolution Class Description Source Keywords
6RQO 2 Å NON-ENZYME: OTHER STEADY-STATE-SMX ACTIVATED STATE STRUCTURE OF BACTERIORHODOP HALOBACTERIUM SALINARUM (STRAIN ATCC 7JCM 11081 / NRC-1) RETINAL SERIAL CRYSTALLOGRAPHY TIME-RESOLVED CRYSTALLOGRAPSMX PROTON TRANSPORT
Ref.: PROTON UPTAKE MECHANISM IN BACTERIORHODOPSIN CAPTUR SERIAL SYNCHROTRON CRYSTALLOGRAPHY. SCIENCE V. 365 61 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RET A:501;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
284.436 C20 H28 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RQP 1.8 Å NON-ENZYME: OTHER STEADY-STATE-SMX DARK STATE STRUCTURE OF BACTERIORHODOPSIN HALOBACTERIUM SALINARUM NRC-1 RETINAL SERIAL CRYSTALLOGRAPHY TIME-RESOLVED TR-SMX PROTTRANSPORT
Ref.: PROTON UPTAKE MECHANISM IN BACTERIORHODOPSIN CAPTUR SERIAL SYNCHROTRON CRYSTALLOGRAPHY. SCIENCE V. 365 61 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 6RQP - OLC C21 H40 O4 CCCCCCCCC=....
2 6RQO - RET C20 H28 O CC1=C(C(CC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
3 6RQP - OLC C21 H40 O4 CCCCCCCCC=....
4 6RQO - RET C20 H28 O CC1=C(C(CC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
3 6RQP - OLC C21 H40 O4 CCCCCCCCC=....
4 6RQO - RET C20 H28 O CC1=C(C(CC....
5 2EI4 - 22B C50 H76 O4 CC(=C/C=C/....
6 2Z55 - 22B C50 H76 O4 CC(=C/C=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RET; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RET 1 1
2 BCR 0.811321 0.863636
3 AZE 0.75 0.904762
4 REA 0.704918 0.84
5 9CR 0.704918 0.84
6 RNE 0.688525 0.655172
7 RTL 0.688525 0.740741
8 ECH 0.647059 0.84
9 ETR 0.641791 0.636364
10 45D 0.455882 0.714286
11 6KX 0.425926 0.952381
12 EQ3 0.404762 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6rqp.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6rqp.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6rqp.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6RQP; Ligand: RET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6rqp.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6RQP; Ligand: RET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6rqp.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6RQP; Ligand: RET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6rqp.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: 59
This union binding pocket(no: 7) in the query (biounit: 6rqp.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 2PR5 FMN None
2 2PR5 FMN None
3 3KP6 SAL None
4 2PR5 FMN None
5 2PR5 FMN None
6 5OWC AYZ None
7 1L6O SER LEU LYS LEU MET THR THR VAL None
8 3KP6 SAL None
9 2I0G I0G 0.873362
10 4R38 RBF 1.31004
11 4R38 RBF 1.31004
12 4R38 RBF 1.31004
13 4R38 RBF 1.31004
14 4R38 RBF 1.31004
15 4R38 RBF 1.31004
16 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.18341
17 5LOF 70R 2.18341
18 5BYK A3P 2.62009
19 5BYK OAQ 2.62009
20 1ZDT PEF 3.05677
21 1ZDT PEF 3.05677
22 6SSQ 754 3.05677
23 4O4K 2PK 3.05677
24 4MGA 27L 3.05677
25 3EWK FAD 3.49345
26 3T50 FMN 3.90625
27 3T50 FMN 3.90625
28 3T50 FMN 3.90625
29 3T50 FMN 3.90625
30 3D78 NBB 4.20168
31 3D78 NBB 4.20168
32 3K9W 4PS 4.27807
33 3K9W ADE 4.27807
34 4V24 GYR 4.36681
35 2LBD REA 4.36681
36 2UXI G50 4.36681
37 1N9L FMN 4.58716
38 1N9L FMN 4.58716
39 1N9L FMN 4.58716
40 6GBV FMN 4.80349
41 4EES FMN 5.21739
42 2R40 20E 5.67686
43 2R40 20E 5.67686
44 5TIV A3P 6.11354
45 3V49 PK0 6.55022
46 6CB2 OLC 6.9869
47 6GPV FMN 6.9869
48 6GPV LUM 6.9869
49 2XCG XCG 7.42358
50 2XCG XCG 7.42358
51 6T2W M9T 7.42358
52 2Z6C FMN 8.52713
53 2Z6C FMN 8.52713
54 2WKQ FMN 8.73362
55 1JAY F42 8.96226
56 6HIL MYR 11.9266
57 6HIL MYR 11.9266
58 6RHF FMN 13.2743
59 6RHF FMN 13.2743
Pocket No.: 8; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6rqp.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6rqp.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6rqp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6rqp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6RQP; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 6rqp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback