Structure of PDB 2gvn Chain C Binding Site BS01

Receptor Information

>2gvn Chain C (length=325) Species: 29471 (Pectobacterium atrosepticum)

NLPNIVILATGGTIAGSAAANTQTTGYKAGALGVETLIQAVPELKTLANI
KGEQVASIGSENMTSDVLLTLSKRVNELLARSDVDGVVITHGTDTLDESP
YFLNLTVKSDKPVVFVAAMRPATAISADGPMNLYGAVKVAADKNSRGRGV
LVVLNDRIGSARFISKTNASTLDTFKAPEEGYLGVIIGDKIYYQTRLDKV
HTTRSVFDVTNVDKLPAVDIIYGYQDDPEYMYDASIKHGVKGIVYAGMGA
GSVSKRGDAGIRKAESKGIVVVRSSRTGSGIVPPDAGQPGLVADSLSPAK
SRILLMLALTKTTNPAVIQDYFHAY

Ligand information

• Ligand ID: ASP
• InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
• InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(C(C(=O)O)N)C(=O)O
  OpenEye OEToolkits 1.7.0: C([C@@H](C(=O)O)N)C(=O)O
  CACTVS 3.370: N[CH](CC(O)=O)C(O)=O
  CACTVS 3.370: N[C@@H](CC(O)=O)C(O)=O
  ACDLabs 12.01: O=C(O)CC(N)C(=O)O
• Formula: C4 H7 N O4
• Name: ASPARTIC ACID
• ChEMBL: CHEMBL274323
• DrugBank: DB00128
• ZINC: ZINC000000895032
• PDB chain: 2gvn Chain C Residue 3354

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gvn Three-dimensional structures of L-asparaginase from Erwinia carotovora complexed with aspartate and glutamate.
• Resolution: 1.9 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 score: 5

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

External links

• PDB: RCSB:2gvn, PDBe:2gvn, PDBj:2gvn
• PDBsum: 2gvn
• PubMed: 18323619
• UniProt: I1SBD9