Structure of PDB 7f10 Chain B Binding Site BS01

Receptor Information
>7f10 Chain B (length=140) Species: 340412 (Aspergillus novofumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAPAEVQAATLEKFIQGWAGWTPDGFLANWSEDCTQKTLPFSSGVPLRTR
ADTEKLFPVLMSLMSNFTLDIHNVVHDAPQGKAVIYALTKADTPFGPYRN
EHAIFLWFNEIGDRVQKIEEMFDAVVIQEFLPKLDKYVAD
Ligand information
Ligand ID0BJ
InChIInChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3
InChIKeyHZZOIPFDIKYDFZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC
CACTVS 3.385COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O
FormulaC16 H14 O6
Namemethyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
ChEMBL
DrugBank
ZINCZINC000036375397
PDB chain7f10 Chain B Residue 201 [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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PDB7f10 Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		W19 W22 F27 F58 L61 M62 M65 Y99 E121 F123
Binding residue
(residue number reindexed from 1)		W18 W21 F26 F57 L60 M61 M64 Y98 E120 F122
Annotation score1
Enzymatic activity
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:7f10, PDBe:7f10, PDBj:7f10
PDBsum7f10
PubMed34180120
UniProtA0A2I1C3W8|NSRQ_ASPN1 Monooxygenase nsrQ (Gene Name=nsrQ)

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