Structure of PDB 4wav Chain A Binding Site BS03

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 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		T74 E75 W88 L95 L131
Binding residue
(residue number reindexed from 1)		T63 E64 W77 L84 L120
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

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Cellular Component
External links
PDB RCSB:4wav, PDBe:4wav, PDBj:4wav
PDBsum4wav
PubMed
UniProtG0LFX8|BACR1_HALWC Bacteriorhodopsin-I (Gene Name=bop1)

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