3SOS: Benzothiazinone inhibitor in complex with FXIa

PDB ID: 3SOSDownload
MMDB ID: 98656
PDB Deposition Date: 2011/6/30
Updated in MMDB: 2024/04
Experimental Method:
x-ray diffraction
Resolution: 2.58  Å
Source Organism:
Similar Structures:
Biological Unit for 3SOS: monomeric; determined by author and by software (PISA)
Molecular Components in 3SOS
Label Count Molecule
Protein (1 molecule)
1
Coagulation Factor XI
(Gene symbol: F11)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
CITRIC ACIDCITRIC ACID
2
1
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
3
1
N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamideN-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide
* 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