Structure of PDB 2hln Chain B Binding Site BS01

Receptor Information

>2hln Chain B (length=308) Species: 29471 (Pectobacterium atrosepticum)

NLPNIVILATGGTIAGVETLIQAVPELKTLANIKGEQVASIGSENMTSDV
LLTLSKRVNELLARSDVDGVVITHGTDTLDESPYFLNLTVKSDKPVVFVA
AMRPATAISADGPMNLYGAVKVAADKNSRGRGVLVVLNDRIGSARFISKT
NASTLDTFKAPEEGYLGVIIGDKIYYQTRLDKVHTTRSVFDVTNVDKLPA
VDIIYGYQDDPEYMYDASIKHGVKGIVYAGMGAGSVSKRGDAGIRKAESK
GIVVVRSSRTGSGIVPPDAGQPGLVADSLSPAKSRILLMLALTKTTNPAV
IQDYFHAY

Ligand information

• Ligand ID: GLU
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N
• SMILES:
  ACDLabs 12.01: O=C(O)C(N)CCC(=O)O
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)C(C(=O)O)N
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[C@@H](CCC(O)=O)C(O)=O
  CACTVS 3.370: N[CH](CCC(O)=O)C(O)=O
• Formula: C5 H9 N O4
• Name: GLUTAMIC ACID
• ChEMBL: CHEMBL575060
• DrugBank: DB00142
• ZINC: ZINC000001482113
• PDB chain: 2hln Chain B Residue 3359

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hln Three-dimensional structures of L-asparaginase from Erwinia carotovora complexed with aspartate and glutamate.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): G14 T15 G61 S62 E63 G94 T95 D96 A120
• Binding residue (residue number reindexed from 1): G12 T13 G42 S43 E44 G75 T76 D77 A101
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): T15 T95 D96 K168
• Catalytic site (residue number reindexed from 1): T13 T76 D77 K149
• 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:2hln, PDBe:2hln, PDBj:2hln
• PDBsum: 2hln
• PubMed: 18323619
• UniProt: Q7WWK9