Structure of PDB 4qid Chain B Binding Site BS02

Receptor Information
>4qid Chain B (length=224) Species: 362976 (Haloquadratum walsbyi DSM 16790) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGEGIWLALGTIGMLLGMLYFIADGLDVQDPRQKEFYVITILIPAIAAAS
YLSMFFGFGLTEVSLANGRVVDVYWARYADWLFTTPLLLLDIGLLAGASQ
RDIGALVGIDAFMIVTGLVATLTKVVVARYAFWTISTISMVFLLYYLVAV
FGEAVSDADEDTRSTFNALRNIILVTWAIYPVAWLVGTEGLALTGLYGET
LLFMVLDLVAKVGFGFILLRSRAI
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 chain4qid Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qid An acid-tolerant light-driven proton pump
Resolution2.57 Å
Binding residue
(original residue number in PDB)		E173 R176 S177 N180 A181 N184
Binding residue
(residue number reindexed from 1)		E160 R163 S164 N167 A168 N171
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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Biological Process
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Cellular Component
External links
PDB RCSB:4qid, PDBe:4qid, PDBj:4qid
PDBsum4qid
PubMed
UniProtQ18DH8|BACR1_HALWD Bacteriorhodopsin-I (Gene Name=bop1)

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