Structure of PDB 7f5i Chain A Binding Site BS01

Receptor Information

>7f5i Chain A (length=153) Species: 195102 (Clostridium perfringens str. 13)

HMDIKKVYLKGQEEAKGWNKPNKIIIHHPEYNGSIEGLNDIMRSMGFYMI
GYNFYVRKDGTVYEGRPVWATGANCYGHNHDSIGVCFEGNYDKETDMPQE
QFNAGVELIKYLKSKYGINEVNGHKHYYNTACPGQYFPLEKMLSCLDGQL
QQE

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: 7f5i Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7f5i Structural and biochemical characterization of the Clostridium perfringens-specific Zn 2+ -dependent amidase endolysin, Psa, catalytic domain.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): G45 Y47
• Binding residue (residue number reindexed from 1): G46 Y48
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.5.1.28: N-acetylmuramoyl-L-alanine amidase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008745 N-acetylmuramoyl-L-alanine amidase activity

Biological Process

• GO:0009253 peptidoglycan catabolic process

External links

• PDB: RCSB:7f5i, PDBe:7f5i, PDBj:7f5i
• PDBsum: 7f5i
• PubMed: 34482025
• UniProt: Q8XLA4