4WVL: Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement

PDB ID: 4WVLDownload
MMDB ID: 125315
PDB Deposition Date: 2014/11/6
Updated in MMDB: 2014/12
Experimental Method:
x-ray diffraction
Resolution: 2.41  Å
Source Organism:
Similar Structures:
Biological Unit for 4WVL: monomeric; determined by author and by software (PISA)
Molecular Components in 4WVL
Label Count Molecule
Protein (1 molecule)
1
Histone-lysine N-methyltransferase, H3 Lysine-79 Specific
(Gene symbol: DOT1L)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine (Link to PubChem not yet available)N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
2
3
SULFATE ION (Link to PubChem not yet available)SULFATE ION
3
1
GLYCEROL (Link to PubChem not yet available)GLYCEROL
4
3
1,2-ETHANEDIOL (Link to PubChem not yet available)1,2-ETHANEDIOL
* 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