Structure of PDB 4kly Chain C Binding Site BS01

Receptor Information
>4kly Chain C (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
IAFWHYLYMRGVWIDTGDTPTVFRYINWLLTVPLQVVEFYLILAACTSVA
ASLFKKLLAGSLVMLGAGFAGEAGLAPVLPAFIIGMAGWLYMIYELYMGE
GKAAVSTASPAVNSAYNAMMMIIVVGWAIYPAGYAAGYLMGVYASNLNLI
YNLADFVNKILFGLIIWNVAVKESSNALEH
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 chain4kly Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kly Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		V102 M134 W197 Y200 P201 K232
Binding residue
(residue number reindexed from 1)		V82 M114 W177 Y180 P181 K209
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:4kly, PDBe:4kly, PDBj:4kly
PDBsum4kly
PubMed24100316
UniProtQ9AFF7|PRRB_PRB02 Blue-light absorbing proteorhodopsin

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