Structure of PDB 8u9a Chain A Binding Site BS02

Receptor Information
>8u9a Chain A (length=220) Species: 1028307 (Klebsiella aerogenes KCTC 2190) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDFHGQTVWVTGAGKGIGYATALAFVEAGANVTGFDLAFDGEGYPFATE
MLDVADADQVRDVCARLLNDIERLDVLVNAAGILRMGATDQLSAEDWQQT
FAVNVGGAFNLFQQTMAQFRRQRGGAIVTVASDAAHTPRIGMSAYGASKA
ALKSLALTVGLELAGSGVRCNLVSPGSGIPLGKIARPQEIANTILFLASS
HASHITLQDIVVDGGSTLGA
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 A Residue 302 [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
Binding residue
(residue number reindexed from 1)		G1 L2 N192 F196
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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