Structure of PDB 4hyj Chain B Binding Site BS01

Receptor Information
>4hyj Chain B (length=224) Species: 332410 () [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVLATQYMFWVGFVGMAAGTLYFLVERNSLAPEYRSTATVAALVTFVAAI
HYYFMKDFPTEIRYIDWLVTTPLLLVKFPLLLGLKGRLGRPLLTKLVIAD
VIMIVGGYIGESSINIAGGFTQLGLWSYLIGCFAWIYIIYLLFTNVTKAA
ENKPAPIRDALLKMRLFILIGWAIYPIGYAVTLFAPGVEIQLVRELIYNF
ADLTNKVGFGLIAFFAVKTMSSLS
Ligand information
Ligand IDRET
InChIInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
FormulaC20 H28 O
NameRETINAL
ChEMBLCHEMBL81379
DrugBank
ZINCZINC000004228262
PDB chain4hyj Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hyj Structural insights into the proton pumping by unusual proteorhodopsin from nonmarine bacteria.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W86 T90 M122 G126 Y147 G150 C151 W191 Y194 P195 K225
Binding residue
(residue number reindexed from 1)		W67 T71 M103 G107 Y128 G131 C132 W172 Y175 P176 K206
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
GO:0010461 light-activated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hyj, PDBe:4hyj, PDBj:4hyj
PDBsum4hyj
PubMed23872846
UniProtB1YFV8

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