Brand  (β version)

PDB ID: 2C8X

Hetero Atom Contents

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
C5M N-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide PoSSuM
DMS Dimethyl sulfoxide PoSSuM
NA Sodium ion PoSSuM
Modified Residues
Code Name Link
TYS O-sulfo-L-tyrosine PoSSuM

Structure summary

Code : 2C8X   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : thrombin inhibitors
Release Data : 2006-07-04
Compound :
mol_id molecule chains
1 THROMBIN LIGHT CHAIN A
ec: 3.4.21.5
fragment: FRAGMENT ALPHA THROMBIN, RESIDUES 328-363
mol_id molecule chains
2 THROMBIN HEAVY CHAIN B
ec: 3.4.21.5
fragment: FRAGMENT ALPHA THROMBIN, RESIDUES 364-622
mol_id molecule chains synonym
3 HIRUDIN VARIANT-2 I HIRUGEN
fragment: PEPTIDE FRAGMENT OF HIRUDIN, RESIDUES 61-72
Source :
mol_id organism_scientific organism_common
1 HOMO SAPIENS  (taxid:9606) HUMAN
tissue: BLOOD PLASMA
mol_id organism_scientific organism_common
2 HOMO SAPIENS  (taxid:9606) HUMAN
tissue: BLOOD PLASMA
mol_id organism_scientific organism_common
3 HIRUDO MEDICINALIS  (taxid:6421) MEDICINAL LEECH
synthetic: yes
Authors : Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Keywords : PROTEASE, BLOOD COAGULATION, THROMBIN, GAMMA-CARBOXYGLUTAMIC ACID, GLYCOPROTEIN, KRINGLE, SERINE PROTEASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.17 Å )
Citation :

Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors

Howard, N.,Abell, C.,Blakemore, W.  et al.
(2006)  J.Med.Chem.  49 : 1346

PubMed: 16480269
DOI: 10.1021/JM050850V

Reaction

Chain : B
UniProt : P00734 (THRB_HUMAN)
Reaction : Reaction=Selective cleavage of Arg-|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B.; EC=3.4.21.5;
Chain : I
UniProt : P09945 (HIRV2_HIRME)
Reaction : -