Structure of PDB 7b2t Chain A Binding Site BS01

Receptor Information

>7b2t Chain A (length=342) Species: 6945 (Ixodes scapularis)

MRYENEMRLANNRFAVDLLRGLPSSPEKNIFFSPYSISTAMGMVFAGAKG
ETLKNLYDGFGYLRSGLKEDWVLQAYADHAKQLQVGQSQSTFDVANAAAI
HERLALLSAYENTLDSTFHAQLLKVDFVNGGPAAIDEINRWVKQKTHDKI
DKLFDGPLDPLTRLVLLNAIFFKGVWSTKFDENATTKKQFLNGGTTPTQV
DTMTKSIRIGYKLLPTMRLEIAELPYDGGNYSMVILLPRGSEGIEAFKHS
LTDHRLQDYIGHVELREVAVSLPKFKLETEYSLKDSLKSLGITEIFGTQA
DLSGISSDGELVVSDVVHKAVVEVNEEGTEAAAVSGVAVVTR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7b2t Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7b2t Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes ricinus.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): Q84 F92
• Binding residue (residue number reindexed from 1): Q84 F92
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004867 serine-type endopeptidase inhibitor activity
• GO:0090729 toxin activity

Biological Process

• GO:0002376 immune system process
• GO:0010466 negative regulation of peptidase activity
• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space

External links

• PDB: RCSB:7b2t, PDBe:7b2t, PDBj:7b2t
• PDBsum: 7b2t
• PubMed: 34473088
• UniProt: A0A0K8RJ89|IRS5_IXORI Iripin-5