Structure of PDB 8u9a Chain B Binding Site BS01

Receptor Information
>8u9a Chain B (length=217) Species: 1028307 (Klebsiella aerogenes KCTC 2190) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDFHGQTVWVTGAGKGIGYATALAFVEAGANVTGFDLAFGYPFATEMLD
VADADQVRDVCARLLNDIERLDVLVNAAGILRMGATDQLSAEDWQQTFAV
NVGGAFNLFQQTMAQFRRQRGGAIVTVASDAAHTPRIGMSAYGASKAALK
SLALTVGLELAGSGVRCNLVSPGSGIPLGKIARPQEIANTILFLASSHAS
HITLQDIVVDGGSTLGA
Ligand information
Ligand IDDBH
InChIInChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyGLDQAMYCGOIJDV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)O
ACDLabs 10.04O=C(O)c1cccc(O)c1O
CACTVS 3.341OC(=O)c1cccc(O)c1O
FormulaC7 H6 O4
Name2,3-DIHYDROXY-BENZOIC ACID
ChEMBLCHEMBL1432
DrugBankDB01672
ZINCZINC000000388166
PDB chain8u9a Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u9a Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound)
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G3 L4 N223 F227 H232
Binding residue
(residue number reindexed from 1)		G1 L2 N189 F193 H198
Annotation score3
Enzymatic activity
Enzyme Commision number 1.3.1.28: 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008667 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0019290 siderophore biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8u9a, PDBe:8u9a, PDBj:8u9a
PDBsum8u9a
PubMed
UniProtA0A0H3FXS4

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