Structure of PDB 2zal Chain D Binding Site BS01

Receptor Information
>2zal Chain D (length=135) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVGAVALDLDGNLAAATSTGGMTNKLPGRVGDSPLVGAGCYANNASVAVS
CTGTGEVFIRALAAYDIAALMDYGGLSLAEACERVVMEKLPALGGSGGLI
AIDHEGNVALPFNTEGMYRAWGYAGDTPTTGIYRE
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain2zal Chain D Residue 500 [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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PDB2zal Crystal structure of isoaspartyl aminopeptidase in complex with L-aspartate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T179 M200 R207 D210 T230 G231 G233
Binding residue
(residue number reindexed from 1)		T1 M22 R29 D32 T52 G53 G55
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T179 T197 R207 T230 G231
Catalytic site (residue number reindexed from 1) T1 T19 R29 T52 G53
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:2zal, PDBe:2zal, PDBj:2zal
PDBsum2zal
PubMed15946951
UniProtP37595|IAAA_ECOLI Isoaspartyl peptidase (Gene Name=iaaA)

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