Structure of PDB 8zj0 Chain D Binding Site BS01

Receptor Information
>8zj0 Chain D (length=313) Species: 399795 (Comamonas testosteroni KF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTIVHRRLALAIGDPHGIGPEIALKALQQLSATERSLIKVYGPWSALEQA
AQICQMESLLQDLIHEEAGSLAQPVQCGEITPQAGLSTVQSATAAIRACE
SGEVDAVIACPHHETAIHRAGIAFSGYPSLLANVLGMNEDEVFLMLVGAG
LRIVHVTLHESVRSALERLSPQLVINAVDAAVQTCTLLGVPKPQVAVFGI
NPHASEGQLFGLEDSQITVPAVETLRKRGLTVDGPMGADMVLAQRKHDLY
VAMLHDQGHIPIKLLAPNGASALSIGGRVVLSSVGHGSAMDIAGRGVADA
TALLRTIALLGAQ
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 chain8zj0 Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zj0 Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H159 H259 K263
Binding residue
(residue number reindexed from 1)		H159 H259 K263
Annotation score1
External links