Structure of PDB 4yzi Chain A Binding Site BS01

Receptor Information
>4yzi Chain A (length=289) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDYVFHRAHERMLFQTSYTLENNGSVICIPNNGQCFCLAWLKSNGTNAEK
LAANILQWITFALSALCLMFYCGWEEIYVATIEMIKFIIEYFHEFDEPAV
IYSSNGNKTVWLRYAEWLLTCPVILIHLSNLTGLANDYNKRTMGLLVSDI
GGIVWATTAALSKGYVRVIFFLMGLCYGIYTFFNAAKVYIEAYHTVPKGR
CRQVVTGMAWLFFVSWGMFPILFILGPEGFGVLSVYGSTVGHTIIDLMSK
NCWGLLGHYLRVLIHEHILIHGDIRKTTKIEVETLVEDE
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 chain4yzi Chain A Residue 401 [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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PDB4yzi Atomistic design of microbial opsin-based blue-shifted optogenetics tools.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W163 C167 G198 A202 F217 G220 L221 W262 F265 P266 K296
Binding residue
(residue number reindexed from 1)		W117 C121 G152 A156 F171 G174 L175 W216 F219 P220 K250
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4yzi, PDBe:4yzi, PDBj:4yzi
PDBsum4yzi
PubMed25975962
UniProtQ8L435;
Q8RUT8

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