4ANB: Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs

PDB ID: 4ANBDownload
MMDB ID: 105899
PDB Deposition Date: 2012/3/16
Updated in MMDB: 2012/12
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 4ANB: monomeric; determined by author and by software (PISA)
Molecular Components in 4ANB
Label Count Molecule
Protein (1 molecule)
1
Dual Specificity Mitogen-activated Protein Kinase Kinase 1
(Gene symbol: MAP2K1)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
[3-(AMINOMETHYL)-3-OXIDANYL-AZETIDIN-1-YL]-[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]METHANONE[3-(AMINOMETHYL)-3-OXIDANYL-AZETIDIN-1-YL]-[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]METHANONE
2
1
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTERPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
3
1
MAGNESIUM IONMAGNESIUM 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