Structure of PDB 4wav Chain A Binding Site BS02

Receptor Information
>4wav Chain A (length=227) Species: 768065 (Haloquadratum walsbyi C23) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVEGEGIWLALGTIGMLLGMLYFIADGLDVQDPRQKEFYVITILIPAIAA
ASYLSMFFGFGLTEVSLANGRVVDVYWARYANWLFTTPLLLLDIGLLAGA
SQRDIGALVGIDAFMIVTGLVATLTKVVVARYAFWTISTISMVFLLYYLV
AVFGEAVSDADEDTRSTFNALRNIILVTWAIYPVAWLVGTEGLALTGLYG
ETLLFMVLDLVAKVGFGFILLRSRAIM
Ligand information
Ligand IDMPG
InChIInChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKeyJPJYKWFFJCWMPK-GDCKJWNLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O
CACTVS 3.385CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCCCCOC(=O)C(CO)O
FormulaC21 H40 O4
Name[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
ChEMBL
DrugBankDB03831
ZINCZINC000064436846
PDB chain4wav Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4wav Crystal structure of an acid-tolerant light-driven proton pump at 1.85 Angstroms resolution
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S177 N184 V188
Binding residue
(residue number reindexed from 1)		S166 N173 V177
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4wav, PDBe:4wav, PDBj:4wav
PDBsum4wav
PubMed
UniProtG0LFX8|BACR1_HALWC Bacteriorhodopsin-I (Gene Name=bop1)

[Back to BioLiP]