PDBsum entry 3po1

Hydrolase/hydrolase inhibitor

PDB id: 3po1

Contents

Protein chains

27 a.a.

147 a.a.

102 a.a.

Ligands

ASP-PHE-GLU-GLU-ILE-PRO-GLY-GLU-TYS-LEU

MKY

ACT

Metals

_NA

Waters ×140

PDB id:

3po1

Name:

Hydrolase/hydrolase inhibitor

Title:

Thrombin in complex with benzothiazole guanidine

Structure:

Thrombin light chain. Chain: a. Thrombin heavy chain. Chain: b. Thrombin heavy chain. Chain: c. Thrombin peptide. Chain: d

Source:

Homo sapiens. Human. Organism_taxid: 9606. Organism_taxid: 9606

Resolution:

1.65Å R-factor: 0.229 R-free: 0.260

Authors:

Y.Xue

Key ref:

M.Karle et al. (2012). Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV. Bioorg Med Chem Lett, 22, 4839-4843. PubMed id: 22726924

Date:

21-Nov-10 Release date: 23-Nov-11

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 27 a.a.

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 147 a.a.

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 102 a.a.

Enzyme reactions

• Enzyme class: Chains A, B, C: E.C.3.4.21.5 - thrombin.
• Reaction: Preferential cleavage: Arg-|-Gly; activates fibrinogen to fibrin and releases fibrinopeptide A and B.

Bioorg Med Chem Lett 22:4839-4843 (2012)

PubMed id: 22726924

Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.

M.Karle, W.Knecht, Y.Xue.

ABSTRACT

No abstract given.