PDBsum entry 3egk

Blood clotting/hydrolase inhibitor

PDB id: 3egk

Contents

Protein chains

27 a.a. *

249 a.a. *

Ligands

ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYS

M18

Metals

_NA ×2

Waters ×116

* Residue conservation analysis

PDB id:

3egk

Name:

Blood clotting/hydrolase inhibitor

Title:

Knoble inhibitor

Structure:

Thrombin light chain. Chain: l. Synonym: coagulation factor ii. Thrombin heavy chain. Chain: h. Synonym: coagulation factor ii. Hirudin variant-1. Chain: i. Fragment: residues 54-64.

Source:

Homo sapiens. Human. Organism_taxid: 9606. Tissue: blood plasma. Synthetic: yes. Other_details: synthetic fragment of hirudin from hirudo medicinalis

Resolution:

2.20Å R-factor: 0.205 R-free: 0.312

Authors:

B.Baum,A.Heine,G.Klebe,M.Muenzel

Key ref:

C.Gerlach et al. (2007). KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding. Angew Chem Int Ed Engl, 46, 9105-9109. PubMed id: 17955562

Date:

10-Sep-08 Release date: 30-Sep-08

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: 249 a.a.

Enzyme reactions

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

Angew Chem Int Ed Engl 46:9105-9109 (2007)

PubMed id: 17955562

KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding.

C.Gerlach, M.Münzel, B.Baum, H.D.Gerber, T.Craan, W.E.Diederich, G.Klebe.

ABSTRACT

No abstract given.