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BioLiP

Structure of PDB 2gvn Chain D Binding Site BS01

Receptor Information
>2gvn Chain D (length=325) Species: 29471 (Pectobacterium atrosepticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLPNIVILATGGTIAGSAAANTQTTGYKAGALGVETLIQAVPELKTLANI
KGEQVASIGSENMTSDVLLTLSKRVNELLARSDVDGVVITHGTDTLDESP
YFLNLTVKSDKPVVFVAAMRPATAISADGPMNLYGAVKVAADKNSRGRGV
LVVLNDRIGSARFISKTNASTLDTFKAPEEGYLGVIIGDKIYYQTRLDKV
HTTRSVFDVTNVDKLPAVDIIYGYQDDPEYMYDASIKHGVKGIVYAGMGA
GSVSKRGDAGIRKAESKGIVVVRSSRTGSGIVPPDAGQPGLVADSLSPAK
SRILLMLALTKTTNPAVIQDYFHAY
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 chain2gvn Chain D Residue 3355 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gvn Three-dimensional structures of L-asparaginase from Erwinia carotovora complexed with aspartate and glutamate.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T15 G61 S62 E63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		T13 G59 S60 E61 G92 T93 D94
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T15 Y29 T95 D96 K168
Catalytic site (residue number reindexed from 1) T13 Y27 T93 D94 K166
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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Molecular Function
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Biological Process
External links

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