Structure of PDB 6rex Chain B Binding Site BS02

Receptor Information
>6rex Chain B (length=273) Species: 308116 (Dokdonia eikasta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QELGNANFENFIGATEGFSEIAYQFTSHILTLGYAVMLAGLLYFILTIKN
VDKKFQMSNILSAVVMVSAFLLLYAQAQNWTSSFTFNEEVGRYFLDPSGD
LFNNGYRYLNWLIDVPMLLFQILFVVSLTTSKFSSVRNQFWFSGAMMIIT
GYIGQFYEVSNLTAFLVWGAISSAFFFHILWVMKKVINEGKEGISPAGQK
ILSNIWILFLISWTLYPGAYLMPYLTGVDGFLYSEDGVMARQLVYTIADV
SSKVIYGVLLGNLAITLSKNKEL
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 chain6rex Chain B Residue 313 [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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PDB6rex Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W113 M149 S174 F178 W215 Y218 P219 Y222 K255
Binding residue
(residue number reindexed from 1)		W111 M147 S172 F176 W213 Y216 P217 Y220 K253
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6rex, PDBe:6rex, PDBj:6rex
PDBsum6rex
PubMed30989112
UniProtN0DKS8

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