Structure of PDB 7bp1 Chain A Binding Site BS01

Receptor Information
>7bp1 Chain A (length=336) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLGKVALEEAFALPRHKERTRWWAGLFAIDPDKHAAEINDITEQRIKYMN
EHGVGYTILSYTAPGVQDVWDPKEAQALAVEVNDYIADAIKAHPDRLGAF
ATLSMHDPKEAAEELRRVVTKYGFKGALVNDTQRAGADGDDMIFYDGPEW
DVFWSTVTDLDVPFYLHPRNPTGSIHEKLWAKRSWLIGPPLSFAQGVSLH
ALGMVTNGVFDRHPKLQIVLGHLGEHIPFDMWRINHWFEDIKKPLGLSCK
LTIREYFARNLWITTSGHFSTSTLQFCLGEVGADRILFSIDYPFENFSDA
CTWYDGLAINDVDKRKIGKDNAKKLFKLPQFYQSED
Ligand information
Ligand IDCAQ
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKeyYCIMNLLNPGFGHC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1O
FormulaC6 H6 O2
NameCATECHOL;
1,2-DIHYDROXYBENZENE
ChEMBLCHEMBL280998
DrugBankDB02232
ZINCZINC000013512214
PDB chain7bp1 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bp1 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		W24 F28 H168 P190 F194 D292 F295
Binding residue
(residue number reindexed from 1)		W23 F27 H167 P189 F193 D291 F294
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0019748 secondary metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bp1, PDBe:7bp1, PDBj:7bp1
PDBsum7bp1
PubMed32421914
UniProtN1S495

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