Structure of PDB 2a2q Chain H Binding Site BS02

Receptor Information

>2a2q Chain H (length=254) Species: 9606 (Homo sapiens)

IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWR
NLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPV
VLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNV
PRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHY
RGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLR
APFP

Ligand information

• Ligand ID: PBZ
• InChI: InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
• InChIKey: WPANETAWYGDRLL-UHFFFAOYSA-O
• SMILES:
  ACDLabs 10.04: N/C(c1ccc(N)cc1)=[NH2+]
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C(=[NH2+])N)N
  CACTVS 3.341: NC(=[NH2+])c1ccc(N)cc1
• Formula: C7 H10 N3
• Name: P-AMINO BENZAMIDINE
• PDB chain: 2a2q Chain H Residue 1016

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2a2q High resolution structures of p-aminobenzamidine- and benzamidine-VIIa/soluble tissue factor: unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+, and Zn2+ sites in factor VIIa.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D189 S190 C191 K192 S195 S214 W215 G216 G219
• Binding residue (residue number reindexed from 1): D186 S187 C188 K189 S192 S211 W212 G213 G215
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.21: coagulation factor VIIa.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2a2q, PDBe:2a2q, PDBj:2a2q
• PDBsum: 2a2q
• PubMed: 16757484
• UniProt: P08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)