4CRE: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

PDB ID: 4CREDownload
MMDB ID: 126820
PDB Deposition Date: 2014/2/26
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 1.73  Å
Source Organism:
Similar Structures:
Biological Unit for 4CRE: trimeric; determined by author and by software (PISA)
Molecular Components in 4CRE
Label Count Molecule
Proteins (3 molecules)
3
Coagulation Factor XI
(Gene symbol: F11)
Molecule annotation
Chemicals and Non-standard biopolymers (25 molecules)
1
3
6-chloro-4-methyl-1H-quinolin-2-one6-chloro-4-methyl-1H-quinolin-2-one
2
22
SULFATE IONSULFATE 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