PDBsum entry 5mls

Hydrolase

PDB id: 5mls

Contents

Protein chains

28 a.a.

250 a.a.

11 a.a.

Ligands

22U

DMS

PO4

GOL ×6

Metals

_NA ×2

Waters ×189

PDB id:

5mls

Name:

Hydrolase

Title:

Thrombin mutant a190s in complex with (s)-1-(d-phenylalanyl)-n-(3- chlorobenzyl)pyrrolidine-2-carboxamide

Structure:

Thrombin light chain. Chain: l. Synonym: coagulation factor ii. Engineered: yes. Thrombin heavy chain. Chain: h. Synonym: coagulation factor ii. Engineered: yes. Other_details: alanine 190 mutated to serine.

Source:

Homo sapiens. Human. Organism_taxid: 9606. Tissue: blood. Gene: f2. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Expression_system_variant: plyss. Synthetic: yes.

Resolution:

1.62Å R-factor: 0.160 R-free: 0.180

Authors:

A.Marca,A.Sandner,A.Heine,G.Klebe

Key ref:

A.Marca et al. Thrombin mutante a190s in complex with (s)-1-((R)-2-Amino-3,3-Diphenylpropanoyl) -N-(4-Carbamimidoylbenzyl)pyrrolidine-2-Carboxamide. To be published, .

Date:

07-Dec-16 Release date: 20-Dec-17

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 28 a.a.

Protein chain

P00734  (THRB_HUMAN) -  Prothrombin from Homo sapiens

Seq: 622 a.a.

Struc: 250 a.a.*

Protein chain

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

Seq: 72 a.a.

Struc: 11 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

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.