Structure of PDB 8zi8 Chain A Binding Site BS01

Receptor Information
>8zi8 Chain A (length=314) 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
TALLRTIALLGAQP
Ligand information
Ligand IDGTQ
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02O=C(O)c1cc(O)ccc1O
OpenEye OEToolkits 1.7.0c1cc(c(cc1O)C(=O)O)O
CACTVS 3.352OC(=O)c1cc(O)ccc1O
FormulaC7 H6 O4
Name2,5-dihydroxybenzoic acid
ChEMBLCHEMBL1461
DrugBank
ZINCZINC000000001507
PDB chain8zi8 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zi8 Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,5-Dihydroxybenzoate.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		L144 H159 H255 H259 K263
Binding residue
(residue number reindexed from 1)		L144 H159 H255 H259 K263
Annotation score1
External links