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

PDB ID: 4CRADownload
MMDB ID: 126816
PDB Deposition Date: 2014/2/26
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 1.8  Å
Source Organism:
Similar Structures:
Biological Unit for 4CRA: monomeric; determined by author
Molecular Components in 4CRA
Label Count Molecule
Protein (1 molecule)
1
Coagulation Factor XI
(Gene symbol: F11)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
2
GLYCEROLGLYCEROL
2
1
N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamideN-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
3
3
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