Structure of PDB 8zi8 Chain C Binding Site BS01

Receptor Information
>8zi8 Chain C (length=311) 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
NPHASEGQLFGLEDSQITVPAVETLRKRGTVDGPMGADMVLAQRKHDLYV
AMLHDQGHIPIKLLAPNGASALSIGGRVVLSSVGHGSAMDIAGRGVADAT
ALLRTIALLGA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8zi8 Chain C Residue 401 [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)		H255 H259
Binding residue
(residue number reindexed from 1)		H254 H258
Annotation score4
External links