3KL6: Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor

PDB ID: 3KL6Download
MMDB ID: 78472
PDB Deposition Date: 2009/11/6
Updated in MMDB: 2009/12
Experimental Method:
x-ray diffraction
Resolution: 1.45  Å
Source Organism:
Similar Structures:
Biological Unit for 3KL6: dimeric; determined by author and by software (PISA)
Molecular Components in 3KL6
Label Count Molecule
Proteins (2 molecules)
1
Coagulation Factor X Heavy Chain
(Gene symbol: F10)
Molecule annotation
1
Coagulation Factor X Light Chain
(Gene symbol: F10)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one
2
4
1,2-ETHANEDIOL1,2-ETHANEDIOL
3
3
CALCIUM IONCALCIUM ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303