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BioLiP

Structure of PDB 2jk0 Chain C Binding Site BS01

Receptor Information
>2jk0 Chain C (length=315) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLPNIVILATGGTIAGSAAAALGVETLIQAVPELKTLANIKGEQVASIGS
ENMTSDVLLTLSKRVNELLARSDVDGVVITHGTDTLDESPYFLNLTVKSD
KPVVFVAAMRPATAISADGPMNLYGAVKVAADKNSRGRGVLVVLNDRIGS
ARFISKTNASTLDTFKAPEEGYLGVIIGDKIYYQTRLDKVHTTRSVFDVT
NVDKLPAVDIIYGYQDDPEYMYDASIKHGVKGIVYAGMGAGSVSKRGDAG
IRKAESKGIVVVRSSRTGSGIVPPDAGQPGLVADSLSPAKSRILLMLALT
KTTNPAVIQDYFHAY
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 chain2jk0 Chain C Residue 1328 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jk0 Structural and Functional Insights Into Erwinia Carotovora L-Asparaginase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T15 G61 S62 E63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		T13 G49 S50 E51 G82 T83 D84
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T15 T95 D96 K168
Catalytic site (residue number reindexed from 1) T13 T83 D84 K156
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006528 asparagine metabolic process

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Biological Process
External links

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