PDBsum entry 2bxt

Hydrolase/hydrolase inhibitor

PDB id: 2bxt

Contents

Protein chains

253 a.a. *

11 a.a. *

28 a.a. *

Ligands

C2D

Waters ×169

* Residue conservation analysis

PDB id:

2bxt

Name:

Hydrolase/hydrolase inhibitor

Title:

Design and discovery of novel, potent thrombin inhibitors with a solubilizing cationic p1-p2-linker

Structure:

Alpha thrombin. Chain: h. Fragment: large subunit, residues 364-622. Synonym: coagulation factor ii. Engineered: yes. Hirudin variant-2. Chain: i. Engineered: yes. Alpha thrombin.

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Hirudo medicinalis. Medicinal leech. Organism_taxid: 6421.

Biol. unit:

Trimer (from PDB file)

Resolution:

1.83Å R-factor: 0.207 R-free: 0.225

Authors:

S.Bulat,S.Bosio,E.Grabowski,M.A.Papadopoulos,S.Cerezo-Galvez, C.Rosenbaum,V.G.Matassa,I.Ott,G.Metz,J.Schamberger,R.Sekul,A.Feurer

Key ref:

S.Bulat et al. (2006). Design and discovery of novel, Potent pyrazinone-Based thrombin inhibitors with a solubilizing p1-P2-Linker. Lett drug des discovery, 3, 289.

Date:

27-Jul-05 Release date: 26-Oct-06

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 253 a.a.

Protein chain

P09945  (HIRV2_HIRME) -  Hirudin variant-2 (Fragment) from Hirudo medicinalis

Seq: 72 a.a.

Struc: 11 a.a.*

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 28 a.a.

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

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