Structure of PDB 7f0y Chain A Binding Site BS01
Receptor Information
>7f0y Chain A (length=141) Species:
340412
(Aspergillus novofumigatus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
PAPAEVQAATLEKFIQGWAGWTPDGFLANWSEDCTQKTLPFSSGVPLRTR
ADTEKLAPVLMSLMSNFTLDIHNVVHDAPQGKAVIYALTKADTPFGPYRN
EHAIFLWFNEIGDRVQKIEEMFDAVVMQEFLPKLDKYVADN
Ligand information
Ligand ID
0BJ
InChI
InChI=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
InChIKey
HZZOIPFDIKYDFZ-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC
CACTVS 3.385
COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O
Formula
C16 H14 O6
Name
methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
ChEMBL
DrugBank
ZINC
ZINC000036375397
PDB chain
7f0y Chain A Residue 201 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
7f0y
Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
W19 W22 F27 L61 M62 Y99 H103 E121 F123 V127
Binding residue
(residue number reindexed from 1)
W18 W21 F26 L60 M61 Y98 H102 E120 F122 V126
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.-.-.-
Gene Ontology
Molecular Function
GO:0004497
monooxygenase activity
View graph for
Molecular Function
External links
PDB
RCSB:7f0y
,
PDBe:7f0y
,
PDBj:7f0y
PDBsum
7f0y
PubMed
34180120
UniProt
A0A2I1C3W8
|NSRQ_ASPN1 Monooxygenase nsrQ (Gene Name=nsrQ)
[
Back to BioLiP
]