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

PDB ID: 4CRGDownload
MMDB ID: 126821
PDB Deposition Date: 2014/2/26
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 1.25  Å
Source Organism:
Similar Structures:
Biological Unit for 4CRG: trimeric; determined by author and by software (PISA)
Molecular Components in 4CRG
Label Count Molecule
Proteins (3 molecules)
3
Coagulation Factor XI
(Gene symbol: F11)
Molecule annotation
Chemicals and Non-standard biopolymers (25 molecules)
1
12
GLYCEROLGLYCEROL
2
3
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
3
10
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