Structure of PDB 1kcz Chain B Binding Site BS01

Receptor Information
>1kcz Chain B (length=413) Species: 1553 (Clostridium tetanomorphum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIVDVLCTPGLTGFYFDDQRAIKKGAGHDGFTYTGSTVTEGFTQVRQKG
ESISVLLVLEDGQVAHGDCAAVQYSGAGGRDPLFLAKDFIPVIEKEIAPK
LIGREITNFKPMAEEFDKMTVNGNRLHTAIRYGITQAILDAVAKTRKVTM
AEVIRDEYNPGAEINAVPVFAQSGDDRYDNVDKMIIKEADVLPHALINNV
EEKLGLKGEKLLEYVKWLRDRIIKLRVREDYAPIFHIDVYGTIGAAFDVD
IKAMADYIQTLAEAAKPFHLRIEGPMDVEDRQKQMEAMRDLRAELDGRGV
DAELVADEWCNTVEDVKFFTDNKAGHMVQIKTPDLGGVNNIADAIMYCKA
NGMGAYCGGTCNETNRSAEVTTNIGMACGARQVLAKPGMGVDEGMMIVKN
EMNRVLALVGRRK
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 chain1kcz Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kcz The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D238 E273 D307
Binding residue
(residue number reindexed from 1)		D238 E273 D307
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q172 H194 D238 E273 D307 Q329 K331
Catalytic site (residue number reindexed from 1) Q172 H194 D238 E273 D307 Q329 K331
Enzyme Commision number 4.3.1.2: methylaspartate ammonia-lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0031419 cobalamin binding
GO:0046872 metal ion binding
GO:0050096 methylaspartate ammonia-lyase activity
Biological Process
GO:0019553 glutamate catabolic process via L-citramalate

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Molecular Function
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Biological Process
External links
PDB RCSB:1kcz, PDBe:1kcz, PDBj:1kcz
PDBsum1kcz
PubMed11748244
UniProtQ05514|MAAL_CLOTT Methylaspartate ammonia-lyase

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