Brand  (β version)

PDB ID: 4Z9L

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Ligands
Code Name Style Show Link
880 Cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine PoSSuM
ANP Phosphoaminophosphonic acid-adenylate ester PoSSuM
UNX Unknown atom or ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4Z9L   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : THE STRUCTURE OF JNK3 IN COMPLEX WITH AN IMIDAZOLE-PYRIMIDINE INHIBITOR
Release Data : 2015-05-06
Compound :
mol_id molecule chains synonym
1 Mitogen-activated protein kinase 10 A MAPK 10,MAP kinase p49 3F12,Stress-activated protein kinase 1b,SAPK1b,Stress-activated protein kinase JNK3,c-Jun N-terminal kinase 3
ec: 2.7.11.24
fragment: UNP residues 40-401
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human ESCHERICHIA COLI BL21(DE3)  (taxid:469008)
gene: MAPK10, JNK3, JNK3A, PRKM10, SAPK1B
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_plasmid: PET15B
Authors : Scapin, G., Patel, S.B., Lisnock, J., Becker, J.W., Lograsso, P.V., Smart, O.S., Bricogne, G.
Keywords : MAP KINASE, APOPTOSIS, INHIBITION, TRANSFERASE, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.10 Å )
Citation :

The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity.

Scapin, G.,Patel, S.B.,Lisnock, J.  et al.
(2003)  Chem.Biol.  10 : 705 - 712

PubMed: 12954329

Achieving High Quality Ligand Chemistry in Protein-Ligand Crystal Structures for Drug Design

Smart, O.S.,Bricogne, G.
(2015)  Multifaceted Roles Of Crystallography In Modern Drug Discovery  : 165 - 181

DOI: 10.1007/978-94-017-9719-1_13

Reaction

Chain : A
UniProt : P53779 (MK10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.24 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.24 -
-