Het-PDB Navi2 (PDB: 1YPK)

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Ligands
Code	Name		Style	Show	Link
CCR	[N-[N-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine				PoSSuM

Non-standard Residues
Code	Name	Show
TYS	O-sulfo-L-tyrosine

Glycosylation
Code	Name	Emphasize

Modification
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Download interaction data: 1YPK

Code :

1YPK PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Thrombin Inhibitor Complex

Release Data :

2006-01-17

Compound :

mol_id	molecule	chains	synonym
1	Prothrombin light chain	L	Thrombin light chain
	ec: 3.4.21.5

mol_id	molecule	chains	synonym
2	Prothrombin heavy chain	H	Thrombin heavy chain
	ec: 3.4.21.5

mol_id	molecule	chains
3	10-mer peptide from Acety-Hirudin(54-65) sulfated	I

Source :

mol_id	organism_scientific	organism_common
1	Homo sapiens (taxid:9606)	Human
	tissue: blood

mol_id	organism_scientific	organism_common
2	Homo sapiens (taxid:9606)	Human
	tissue: blood

mol_id	organism_scientific
3	Hirudo medicinalis (taxid:6421)
	synthetic: yes other_details: this sequence occurs naturally

Authors :

Czodrowski, P., Sotriffer, C., Fokkens, J., Heine, A., Klebe, G.

Keywords :

Thrombin, Inhibitor Complex, Barrel, 6 stranded beta-Sheet, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 1.78 Å )

Citation :

A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates

Fokkens, J.,Klebe, G.
(2006) Angew.Chem.Int.Ed.Engl. 45 : 985 - 989

PubMed: 16374786
DOI: 10.1002/anie.200502302

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 :	P28504 (HIR2_HIRME)
Reaction :	-

PDB ID: 1YPK

Hetero Atom Contents

Structure summary

Reaction