6YG2: Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes

PDB ID: 6YG2Download
MMDB ID: 191223
PDB Deposition Date: 2020/3/27
Updated in MMDB: 2020/09
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 6YG2: monomeric; determined by author and by software (PISA)
Molecular Components in 6YG2
Label Count Molecule
Protein (1 molecule)
1
Dual Specificity Mitogen-activated Protein Kinase Kinase 7
(Gene symbol: MAP2K7)
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
8
1,2-ETHANEDIOL1,2-ETHANEDIOL
2
4
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
3
1
1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
4
1
1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
* 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