Structure of PDB 8c0i Chain AAA Binding Site BS01

Receptor Information
>8c0i Chain AAA (length=156) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKAVIAIHGGAGAISRAQMSLQQELRYIEALSAIVETGQKMLEAGESALD
VVTEAVRLLEECPLFNAGIGAVFTRDETHELDACVMDGNTLKAGAVAGVS
HLRNPVLAARLVMEQSPHVMMIGEGAENFAFARGMERVSPEIFSTSLRYE
QLLAAR
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 chain8c0i Chain AAA Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c0i The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G71 A72 F144 S145 T146 R149
Binding residue
(residue number reindexed from 1)		G70 A71 F143 S144 T145 R148
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.19.5: beta-aspartyl-peptidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8c0i, PDBe:8c0i, PDBj:8c0i
PDBsum8c0i
PubMed37095066
UniProtP37595|IAAA_ECOLI Isoaspartyl peptidase (Gene Name=iaaA)

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