Structure of PDB 1jn9 Chain A Binding Site BS01

Receptor Information
>1jn9 Chain A (length=158) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKAVIAIHGGAGAISRAQMSLQQELRYIEALSAIVETGQKMLEAGESALD
VVTEAVRLLEECPLFNAGIGAVFTRDETHELDACVMDGNTLKAGAVAGVS
HLRNPVLAARLVMEQSPHVMMIGEGAENFAFARGMERVSPEIFSTSLRYE
QLLAARKE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1jn9 Chain A Residue 407 [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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PDB1jn9 Crystal packing of plant-type L-asparaginase from Escherichia coli.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		M114 S117
Binding residue
(residue number reindexed from 1)		M113 S116
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N67
Catalytic site (residue number reindexed from 1) N66
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:1jn9, PDBe:1jn9, PDBj:1jn9
PDBsum1jn9
PubMed18323626
UniProtP37595|IAAA_ECOLI Isoaspartyl peptidase (Gene Name=iaaA)

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