4WGI: A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)

PDB ID: 4WGIDownload
MMDB ID: 124935
PDB Deposition Date: 2014/9/18
Updated in MMDB: 2018/11
Experimental Method:
x-ray diffraction
Resolution: 1.85  Å
Source Organism:
Similar Structures:
Biological Unit for 4WGI: monomeric; determined by author
Molecular Components in 4WGI
Label Count Molecule
Protein (1 molecule)
1
Maltose-binding Periplasmic Protein,induced Myeloid Leukemia Cell Differentiation Protein Mcl-1
(Gene symbol: malE)
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
2
alpha-D-glucopyranosealpha-D-glucopyranose
2
1
(2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid(2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid
3
1
MAGNESIUM IONMAGNESIUM ION
4
10
FORMIC ACIDFORMIC ACID
* 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