Structure of PDB 4knf Chain E Binding Site BS01

Receptor Information
>4knf Chain E (length=230) Species: 245185 (gamma proteobacterium 'Hot 75m4') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDLDISDTVGVSFWLVTAGMLAATVFFFVERDQVSAKWKTSLTVSGLITG
IAFWHYLYMRGVWIDTGDTPTVFRYINWLLTVPLLVVEFYLILAACTSVA
ASLFKKLLAGSLVMLGAGFAGEAGLAPVLPAFIIGMAGWLYMIYELYMGE
GKAAVSTASPAVNSAYNAMMMIIVVGWAIYPAGYAAGYLMGGVYASNLNL
IYNLADFVNKILFGLIIWNVAVKESSNAKL
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 chain4knf Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4knf Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T101 V102 M134 G155 W159 Y200 K232
Binding residue
(residue number reindexed from 1)		T81 V82 M114 G135 W139 Y180 K210
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0010461 light-activated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion 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:4knf, PDBe:4knf, PDBj:4knf
PDBsum4knf
PubMed24100316
UniProtQ9AFF7|PRRB_PRB02 Blue-light absorbing proteorhodopsin

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