Structure of PDB 6tk5 Chain A Binding Site BS01

Receptor Information
>6tk5 Chain A (length=265) Species: 308116 (Dokdonia eikasta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANFENFIGATEGFSEIAYQFTSHILTLGYAVMLAGLLYFILTIKNVDKKF
QMSNILSAVVMVSAFLLLYAQAQNWTSSFTFNEEVGRYFLDPSGDLFNNG
YRYLNWLIDVPMLLFQILFVVSLTTSKFSSVRNQFWFSGAMMIITGYIGQ
FYEVSNLTAFLVWGAISSAFFFHILWVMKKVINEGKEGISPAGQKILSNI
WILFLISWTLYPGAYLMPYLTGVDGFLYSEDGVMARQLVYTIADVSSKVI
YGVLLGNLAITLSKN
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 chain6tk5 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6tk5 Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		W113 S174 F178 W215 Y218 Y222 K255
Binding residue
(residue number reindexed from 1)		W106 S167 F171 W208 Y211 Y215 K248
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6tk5, PDBe:6tk5, PDBj:6tk5
PDBsum6tk5
PubMed32499654
UniProtN0DKS8

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