Structure of PDB 1onw Chain A Binding Site BS01

Receptor Information
>1onw Chain A (length=376) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNC
TVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSV
VGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEK
DVAIIDRVIGVKCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVF
HMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGT
IDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSGVAGFETLLET
VQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPEL
RIEQVYARGKLMVKDGKACVKGTFET
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1onw Chain A Residue 800 [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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PDB1onw High Resolution X-ray Structure of Isoaspartyl Dipeptidase from Escherichia coli
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H68 H70 K162 D285
Binding residue
(residue number reindexed from 1)		H68 H70 K162 D285
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H68 H70 K162 H201 H230 D285
Catalytic site (residue number reindexed from 1) H68 H70 K162 H201 H230 D285
Enzyme Commision number 3.4.19.-
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0008798 beta-aspartyl-peptidase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1onw, PDBe:1onw, PDBj:1onw
PDBsum1onw
PubMed12718528
UniProtP39377|IADA_ECOLI Isoaspartyl dipeptidase (Gene Name=iadA)

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