Brand  (β version)

PDB ID: 4AYY

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Ligands
Code Name Style Show Link
9MX (R)-1-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 4AYY   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/INHIBITOR
Title : Human thrombin - inhibitor complex
Release Data : 2012-08-15
Compound :
mol_id molecule chains synonym
1 THROMBIN LIGHT CHAIN A COAGULATION FACTOR II
ec: 3.4.21.5
fragment: LIGHT CHAIN, RESIDUES 332-361
mol_id molecule chains synonym
2 THROMBIN HEAVY CHAIN B COAGULATION FACTOR II
ec: 3.4.21.5
fragment: HEAVY CHAIN, RESIDUES 364-620
other_details: ASN B53 IS GLYCOSYLATED
mol_id molecule chains synonym
3 HIRUDIN-3A' D HIRUDIN, HIRUDIN IIIA'
fragment: C-TERMINUS, RESIDUES 55-65
Source :
mol_id organism_scientific organism_common
1 HOMO SAPIENS  (taxid:9606) HUMAN
mol_id organism_scientific organism_common
2 HOMO SAPIENS  (taxid:9606) HUMAN
mol_id organism_scientific organism_common
3 HIRUDO MEDICINALIS  (taxid:6421) MEDICINAL LEECH
synthetic: yes
Authors : Banner, D.W., D'Arcy, A., Winkler, F.K., Hilpert, K.
Keywords : HYDROLASE-INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.60 Å )
Citation :

Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.

Hilpert, K.,Ackermann, J.,Banner, D.W.  et al.
(1994)  J.Med.Chem.  37 : 3889

PubMed: 7966150
DOI: 10.1021/JM00049A008

Reaction

Chain : B
UniProt : P00734 (THRB_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Selective cleavage of Arg-|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B. 3.4.21.5 -
-
Chain : D
UniProt : P28506 (HIR2B_HIRME)
Reaction : -