Structure of PDB 1onx Chain B Binding Site BS01

Receptor Information
>1onx Chain B (length=389) 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
IDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSQPFFDDEGNLT
HIGVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILP
GNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFET
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 chain1onx Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1onx High Resolution X-ray Structure of Isoaspartyl Dipeptidase from Escherichia coli
Resolution2.1 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:1onx, PDBe:1onx, PDBj:1onx
PDBsum1onx
PubMed12718528
UniProtP39377|IADA_ECOLI Isoaspartyl dipeptidase (Gene Name=iadA)

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