Structure of PDB 8zhy Chain D Binding Site BS02

Receptor Information
>8zhy Chain D (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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8zhy Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zhy Magnesium substituted Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with CO2.
Resolution2.7 Å
Binding residue
(original residue number in PDB)
V162 R163
Binding residue
(residue number reindexed from 1)
V162 R163
Annotation score4
External links