Structure of PDB 7vyq Chain F Binding Site BS02

Receptor Information
>7vyq Chain F (length=280) Species: 5480 (Candida parapsilosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMGEIESYCNKELGPLPTKAPTLSKNVLDLFSLKGKVASVTGSSGGIGWA
VAEAYAQAGADVAIWYNSHPADEKAEHLQKTYGVHSKAYKCNISDPKSVE
ETISQQEKDFGTIDVFVANAGVTWTQGPEIDVDNYDSWNKIISVDLNGVY
YCSHNIGKIFKKNGKGSLIITSSISGKIVNIPQLQAPYNTAKAACTHLAK
SLAIEWAPFARVNTISPGYIDTDITDFASKDMKAKWWQLTPLGREGLTQE
LVGGYLYLASNASTFTTGSDVVIDGGYTCP
Ligand information
Ligand ID83I
InChIInChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChIKeyOHLRLMWUFVDREV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)CC(=O)CCl
FormulaC6 H9 Cl O3
Nameethyl 4-chloranyl-3-oxidanylidene-butanoate
ChEMBLCHEMBL3187729
DrugBank
ZINCZINC000001845882
PDB chain7vyq Chain F Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vyq Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Resolution3.13 Å
Binding residue
(original residue number in PDB)		T122 S172 Q182 Y218 F226 W235
Binding residue
(residue number reindexed from 1)		T123 S173 Q183 Y219 F227 W236
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003674 molecular_function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050664 oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7vyq, PDBe:7vyq, PDBj:7vyq
PDBsum7vyq
PubMed35801308
UniProtG8BHG6

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