Brand  (β version)

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Ligands
Code Name Link
0G6 D-phenylalanyl-N-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Code : 1DWE
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors
Release Data : 1994-01-31
Compound :
mol_id molecule chains
1 ALPHA-THROMBIN light chain L
ec: 3.4.21.5
mol_id molecule chains
2 ALPHA-THROMBIN heavy chain H
ec: 3.4.21.5
mol_id molecule chains synonym
3 HIRUDIN IIIA I Hirudin IIIA
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
organ: PLASMA
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
organ: PLASMA
mol_id organism_scientific organism_common
3 Hirudo medicinalis  (taxid:6421) Medicinal leech
Authors : Banner, D.W., Hadvary, P.
Keywords : HYDROLASE-HYDROLASE INHIBITOR COMPLEX, SERINE PROTEINASE
Exp. method : X-RAY DIFFRACTION ( 3.0 Å )
Citation :

Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.

Banner, D.W.,Hadvary, P.
(1991)  J.Biol.Chem.  266 : 20085 - 20093

PubMed: 1939071

Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydro-8- quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin. X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin.

Bode, W.,Turk, D.,Sturzebecher, J.
(1990)  Eur.J.Biochem.  193 : 175 - 182

PubMed: 2226434

The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment.

Bode, W.,Mayr, I.,Baumann, U.  et al.
(1989)  Embo J.  8 : 3467 - 3475

PubMed: 2583108

The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.

Bode, W.,Turk, D.,Karshikov, A.
(1992)  Protein Sci.  1 : 426 - 471

PubMed: 1304349

The structure of a complex of recombinant hirudin and human alpha-thrombin.

Rydel, T.J.,Ravichandran, K.G.,Tulinsky, A.  et al.
(1990)  Science  249 : 277 - 280

PubMed: 2374926

The interaction of thrombin with fibrinogen. A structural basis for its specificity.

Stubbs, M.T.,Oschkinat, H.,Mayr, I.  et al.
(1992)  Eur.J.Biochem.  206 : 187 - 195

PubMed: 1587268

Crystal structure of the thrombin-hirudin complex: a novel mode of serine protease inhibition.

Grutter, M.G.,Priestle, J.P.,Rahuel, J.  et al.
(1990)  Embo J.  9 : 2361 - 2365

PubMed: 2369893

Chain : H
UniProt : P00734 (THRB_HUMAN)
Reaction : Selective cleavage of Arg-|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B.
Chain : I
UniProt : P28507 (HIR3A_HIRME)
Reaction : -