4QTD: Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate revealing the second type-I binding mode

PDB ID: 4QTDDownload
MMDB ID: 121796
PDB Deposition Date: 2014/7/7
Updated in MMDB: 2014/10
Experimental Method:
x-ray diffraction
Resolution: 1.5  Å
Source Organism:
Similar Structures:
Biological Unit for 4QTD: monomeric; determined by author and by software (PISA)
Molecular Components in 4QTD
Label Count Molecule
Protein (1 molecule)
1
Mitogen-activated Protein Kinase 8
(Gene symbol: MAPK8)
Molecule annotation
Chemicals and Non-standard biopolymers (26 molecules)
1
22
1,2-ETHANEDIOL1,2-ETHANEDIOL
2
1
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
3
1
(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
4
1
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTERPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
5
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