Structure of PDB 4k9q Chain B Binding Site BS01

Receptor Information
>4k9q Chain B (length=530) Species: 576610 (Polynucleobacter necessarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTVKEITFDLLRKLQVTTVVGNPGSTEETFLKDFPSDFNYVLALQEASVV
AIADGLSQSLRKPVIVNIHTGAGLGNAMGCLLTAYQNKTPLIITAGQQTR
EMLLNEPLLTNIEAINMPKPWVKWSYEPARPEDVPGAFMRAYATAMQQPQ
GPVFLSLPLDDWEKLIPEVDVARTVSTRQGPDPDKVKEFAQRITASKNPL
LIYGSDIARSQAWSDGIAFAERLNAPVWAAPFAERTPFPEDHPLFQGALT
SGIGSLEKQIQGHDLIVVIGAPVFRYYPWIAGQFIPEGSTLLQVSDDPNM
TSKAVVGDSLVSDSKLFLIEALKLIDQREKNNTPQRSPMTKEDRTAMPLR
PHAVLEVLKENSPKEIVLVEECPSIVPLMQDVFRINQPDTFYTFASGGLG
WDLPAAVGLALGEEVSGRNRPVVTLMGDGSFQYSVQGIYTGVQQKTHVIY
VVFQNEEYGILKQFAELEQTPNVPGLDLPGLDIVAQGKAYGAKSLKVETL
DELKTAYLEALSFKGTSVIVVPITKELKPL
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 chain4k9q Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4k9q The Crystal Structure of Benzoylformate Decarboxylase from Polynucleobacter necessarius
Resolution1.598 Å
Binding residue
(original residue number in PDB)		D429 N456 E458
Binding residue
(residue number reindexed from 1)		D428 N455 E457
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003984 acetolactate synthase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4k9q, PDBe:4k9q, PDBj:4k9q
PDBsum4k9q
PubMed
UniProtA4SXU0

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