Structure of PDB 7x2y Chain A Binding Site BS01

Receptor Information
>7x2y Chain A (length=342) Species: 399795 (Comamonas testosteroni KF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHQLRLGVAGLGRAFTLMLPTLQQDPRIKLVAACDPRGSARAQFASDFRA
PVYPDIEGLASNPDVEAIYIASPHQFHAQQARIAARHGKHVLVEKPMALS
LGDCDEMIQHCRDAGVHLIVGHCHSFDTPYLSAREIVQSGELGPVRMVHA
LNYTDFLYRPRRPEEGGGVVFSQAAHQVDIVRLLVGTRVRRVRAITGDWD
PMRPTQGAYSALLWFEGGAFASISYNGYGHFDSDEWCDWIGEMGGDKSQP
IWHQHFGPIVVSCERGDIRPLPDSVCVYADLAKERRSLQRPVVPRFEVID
ELYHAVVNEIKPLHDGVWARATLEVCLALLDSAGSGKDVELP
Ligand information
Ligand ID3HB
InChIInChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyIJFXRHURBJZNAO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(O)ccc1
OpenEye OEToolkits 1.7.2c1cc(cc(c1)O)C(=O)O
CACTVS 3.370OC(=O)c1cccc(O)c1
FormulaC7 H6 O3
Name3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL65369
DrugBank
ZINCZINC000000388754
PDB chain7x2y Chain A Residue 606 [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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PDB7x2y Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		H125 Q181 H184 E250 M251 R344
Binding residue
(residue number reindexed from 1)		H122 Q173 H176 E242 M243 R295
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:7x2y, PDBe:7x2y, PDBj:7x2y
PDBsum7x2y
PubMed35667443
UniProtA0A076PYH9

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