Structure of PDB 6yc0 Chain B Binding Site BS02
Receptor Information
>6yc0 Chain B (length=269) Species:
308116
(Dokdonia eikasta) [
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QELGNANFENFIGATEGFSEIAYQFTSHILTLGYAVMLAGLLYFILTIKN
VDKKFQMSNILSAVVMVSAFLLLYAQAQNWTSSFTFNEEVGRYFLDPSGD
LFNNGYRYLNWLIDVPMLLFQILFVVSLTTSKFSSVRNQFWFSGAMMIIT
GYIGQFYEVSNLTAFLVWGAISSAFFFHILWVMKKVINEGKEGISPAGQK
ILSNIWILFLISWTLYPGAYLMPYLTGVDGFLYSEDGVMARQLVYTIADV
SSKVIYGVLLGNLAITLSK
Ligand information
Ligand ID
RET
InChI
InChI=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+
InChIKey
NCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILES
Software
SMILES
CACTVS 3.370
CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01
O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370
CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Formula
C20 H28 O
Name
RETINAL
ChEMBL
CHEMBL81379
DrugBank
ZINC
ZINC000004228262
PDB chain
6yc0 Chain B Residue 308 [
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Receptor-Ligand Complex Structure
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PDB
6yc0
Molecular mechanism of light-driven sodium pumping.
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
W113 M149 S174 F178 W215 Y218 Y222 S254 K255
Binding residue
(residue number reindexed from 1)
W111 M147 S172 F176 W213 Y216 Y220 S252 K253
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Cellular Component
GO:0016020
membrane
View graph for
Cellular Component
External links
PDB
RCSB:6yc0
,
PDBe:6yc0
,
PDBj:6yc0
PDBsum
6yc0
PubMed
32358514
UniProt
N0DKS8
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