Het-PDB Navi2 (PDB: 1DWE)

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Ligands
Code	Name		Style	Show	Link
0G6	D-phenylalanyl-N-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 1DWE

Code :

1DWE PDBj RCSB PDB PDBe

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 :

UniProt :

P00734 (THRB_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Selective cleavage of Arg-\|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B.	3.4.21.5	-
	-	-

Chain :	I
UniProt :	P28507 (HIR3A_HIRME)
Reaction :	-

PDB ID: 1DWE

Hetero Atom Contents

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Reaction