Structure of PDB 8zj3 Chain B Binding Site BS01

Receptor Information
>8zj3 Chain B (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]
TIVHRRLALAIGDPHGIGPEIALKALQQLSATERSLIKVYGPWSALEQAA
QICQMESLLQDLIHEEAGSLAQPVQCGEITPQAGLSTVQSATAAIRACES
GEVDAVIACPHHETAIHRAGIAFSGYPSLLANVLGMNEDEVFLMLVGAGL
RIVHVTLHESVRSALERLSPQLVINAVDAAVQTCTLLGVPKPQVAVFGIN
PHASEGQLFGLEDSQITVPAVETLRKRGLTVDGPMGADMVLAQRKHDLYV
AMLHDQGHIPIKLLAPGASALSIGGRVVLSSVGHGSAMDIAGRGVADATA
LLRTIALLGAQPV
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 chain8zj3 Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zj3 Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 4-Hydroxybenzoate.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G237 A238
Binding residue
(residue number reindexed from 1)		G236 A237
Annotation score4
External links