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Receptor
PDB id Resolution Class Description Source Keywords
2EI4 2.1 Å NON-ENZYME: OTHER TRIMERIC COMPLEX OF ARCHAERHODOPSIN-2 HALOBACTERIUM SP. AUS-2 MEMBRANE PROTEIN RETINAL BACTERIORUBERIN PROTON PUMP TRAPROTEIN
Ref.: STRUCTURAL ROLE OF BACTERIORUBERIN IN THE TRIMERIC OF ARCHAERHODOPSIN-2 J.MOL.BIOL. V. 375 1267 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
22B A:270;
Valid;
none;
submit data
741.136 C50 H76 O4 CC(=C...
GLC L2P A:281;
Invalid;
none;
submit data n/a n/a n/a n/a
RET A:260;
Invalid;
none;
submit data
284.436 C20 H28 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EI4 2.1 Å NON-ENZYME: OTHER TRIMERIC COMPLEX OF ARCHAERHODOPSIN-2 HALOBACTERIUM SP. AUS-2 MEMBRANE PROTEIN RETINAL BACTERIORUBERIN PROTON PUMP TRAPROTEIN
Ref.: STRUCTURAL ROLE OF BACTERIORUBERIN IN THE TRIMERIC OF ARCHAERHODOPSIN-2 J.MOL.BIOL. V. 375 1267 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2EI4 - 22B C50 H76 O4 CC(=C/C=C/....
2 2Z55 - 22B C50 H76 O4 CC(=C/C=C/....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2EI4 - 22B C50 H76 O4 CC(=C/C=C/....
2 2Z55 - 22B C50 H76 O4 CC(=C/C=C/....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
3 2EI4 - 22B C50 H76 O4 CC(=C/C=C/....
4 2Z55 - 22B C50 H76 O4 CC(=C/C=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 22B; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 22B 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EI4; Ligand: 22B; Similar sites found with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 2ei4.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1XZ3 ICF None
2 4ZGM 32M None
3 5Y02 HBX None
4 1UO5 PIH None
5 4WGF HX2 0.97561
6 4MGA 27L 1.18577
7 4TV1 36M 1.19522
8 4O4Z N2O 1.2987
9 4RW3 PLM 1.97628
10 5W7B MYR 2.37154
11 6CB2 OLC 2.37154
12 3L1N PLM 2.57732
13 6BMS POV 2.6393
14 3KP6 SAL 2.64901
15 1UI0 URA 2.92683
16 1XMY ROL 3.16206
17 3G58 988 3.16206
18 5M36 9SZ 3.49345
19 5AZC PGT 3.55731
20 1NU4 MLA 4.12371
21 4UCC ZKW 4.29185
22 2BCG GER 4.74308
23 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 5.13834
24 4Q0A 4OA 5.5336
25 3W5N RAM 5.92885
26 5LX9 OLB 5.92885
27 5UC9 MYR 6.19469
28 1PCA CIT 6.32411
29 5OCA 9QZ 6.45161
30 3HP9 CF1 8.3004
31 4F4S EFO 9.21053
32 5LWY OLB 12.605
33 2Y69 CHD 12.8571
34 5Z84 CHD 19.5652
35 5ZCO CHD 19.5652
36 5W97 CHD 19.5652
37 5Z84 PGV 19.5652
38 2DYS PGV 19.5652
39 3GF2 SAL 23.2877
40 5XJ7 87O 24.3781
41 4OGQ 7PH 34.4828
42 4OGQ 1O2 34.4828
Pocket No.: 2; Query (leader) PDB : 2EI4; Ligand: 22B; 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: 2ei4.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2EI4; Ligand: 22B; 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: 2ei4.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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