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

PDB ID: 4CRCDownload
MMDB ID: 126818
PDB Deposition Date: 2014/2/26
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 1.6  Å
Source Organism:
Similar Structures:
Biological Unit for 4CRC: monomeric; determined by author and by software (PISA)
Molecular Components in 4CRC
Label Count Molecule
Protein (1 molecule)
1
Coagulation Factor XI
(Gene symbol: F11)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
(2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide(2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
2
1
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