Brand  (β version)

PDB ID: 1QB1

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Ligands
Code Name Style Show Link
974 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid PoSSuM
CA Calcium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 1QB1   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Release Data : 2000-04-29
Compound :
mol_id molecule chains
1 PROTEIN (TRYPSIN) A
ec: 3.4.21.4
fragment: BOVINE TRYPSIN
Source :
mol_id organism_scientific organism_common
1 Bos taurus  (taxid:9913) Cattle
organ: PANCREAS
other_details: BOEHRINGER MANNHEIM CATALOG NUMBER 109,827
Authors : Whitlow, M.
Keywords : HYDROLASE, SERINE PROTEINASE, PROTEIN-INHIBITOR COMPLEX, S1 POCKET, FACTOR XA
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.

Whitlow, M.,Arnaiz, D.O.,Buckman, B.O.  et al.
(1999)  Acta Crystallogr.,Sect.D  55 : 1395 - 1404

PubMed: 10417407
DOI: 10.1107/S0907444999007350

Crystal Structure Analysis and Refinement of Two Variants of Trigonal Trypsinogen

Bode, W.,Huber, R.
(1978)  FEBS Lett.  90 : 265 - 269

DOI: 10.1016/0014-5793(78)80382-2

Design, Synthesis, and Activity of 2,6-Diphenoxypyridine-Derived Factor Xa Inhibitors

Phillips, G.,Davey, D.,Eagen, K.  et al.
(1999)  J.Med.Chem.  42 : 1749 - 1756

DOI: 10.1021/jm980667k

Discovery of N-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-3,5- Difluoro-6-[3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy] Pyridin-4-Yl-N-Methylglycine (Zk-807834): A Potent, Selective and Orally Active Inhibitor of the Blood Coagulation Enzyme Factor Xa

Phillips, G.B.,Buckman, B.O.,Davey, D.D.  et al.
(1998)  J.Med.Chem.  41 : 3557 - 3562

DOI: 10.1021/jm980280h

Crystal Structures of Factor Xa Specific Inhibitors in Complex with Trypsin: Structural Grounds for Inhibition of Factor Xa and Selectivity Against Thrombin

Stubbs, M.T.,Huber, R.,Bode, W.
(1995)  FEBS Lett.  375 : 103 - 107

DOI: 10.1016/0014-5793(95)01190-P

X-Ray Structure of Active Site-Inhibited Clotting Factor Xa. Implications for Drug Design and Substrate Recognition

Brandstetter, H.,Kuhne, A.,Bode, W.  et al.
(1996)  J.Biol.Chem.  271 : 29988 - 29992

DOI: 10.1074/jbc.271.47.29988

Structure of Human Des(1-45) Factor Xa at 2.2 A Resolution

Padmanabhan, K.,Padmanabhan, K.P.,Tulinsky, A.  et al.
(1993)  J.Mol.Biol.  232 : 947 - 966

DOI: 10.1006/jmbi.1993.1441

Geometry of Binding of the Benzamidine-and Arginine-Based Inhibitors N Alpha-(2-Naphthyl-Sulphonyl-Glycyl)-Dl-P-Amidinophenylalanyl-Piperidine (Napap) and (2R,4R)-4-Methyl-1-[N Alpha-(3-Methyl-1,2,3,4-Tetrahydro-8-Quinolinesulphonyl)- L-Arginyl]-2-Piperidine to Carboxylic Acid (Mqpa) 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

Crystal Structure of Bovine Beta-Trypsin at 1.5 A Resolution in a Crystal Form with Low Molecular Packing Density. Active Site Geometry, Ion Pairs and Solvent Structure

Bartunik, H.D.,Summers, L.J.,Bartsch, H.H.
(1989)  J.Mol.Biol.  210 : 813 - 828

Reaction

Chain : A
UniProt : P00760 (TRY1_BOVIN)
Reaction: EC: Evidence:
Physiological Direction:
Preferential cleavage: Arg-|-Xaa, Lys-|-Xaa. 3.4.21.4 -
-