Brand  (β version)

PDB ID: 5VIO

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Ligands
Code Name Style Show Link
9E4 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide PoSSuM
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Structure summary

Code : 5VIO   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)
Release Data : 2018-01-17
Compound :
mol_id molecule chains synonym
1 Mitogen-activated protein kinase kinase kinase 5 A,B,C,D Apoptosis signal-regulating kinase 1,ASK-1,MAPK/ERK kinase kinase 5,MEKK 5
ec: 2.7.11.25
fragment: UNP residues 659-951
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MAP3K5, ASK1, MAPKKK5, MEKK5
Authors : Jasti, J., Chang, J., Kurumbail, R.
Keywords : ASK1, kinase drug discovery, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.84 Å )
Citation :

Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.

Lovering, F.,Morgan, P.,Allais, C.  et al.
(2017)  Eur J Med Chem  145 : 606 - 621

PubMed: 29348070
DOI: 10.1016/j.ejmech.2017.12.041

Reaction

Chain : A, B, C, D
UniProt : Q99683 (M3K5_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.25 PubMed:26095851
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.25 PubMed:26095851
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