Brand  (β version)

PDB ID: 3H9F

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
MG Magnesium ion PoSSuM
92M 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-B][1,4]diazepin -6(7h)-one PoSSuM
Non-standard Residues
Code Name Show
TPO Phosphothreonine
SEP Phosphoserine
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3H9F   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand
Release Data : 2009-05-19
Compound :
mol_id molecule chains synonym
1 Dual specificity protein kinase TTK A Phosphotyrosine picked threonine-protein kinase, PYT
ec: 2.7.12.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MPS1L1, TTK
expression_system_strain: BL21(DE3)-R3
expression_system_vector_type: Plasmid
expression_system_plasmid: pNIC28-Bsa4
Authors : Filippakopoulos, P., Soundararajan, M., Keates, T., Elkins, J.M., King, O., Fedorov, O., Picaud, S.S., Pike, A.C.W., Yue, W., Chaikuad, A., von Delft, F., Arrowsmith, C.H., Edwards, A., Weigelt, J., Bountra, C., Kwiatkowski, N., Gray, N.S., Knapp, S., Structural Genomics Consortium (SGC)
Keywords : TTK, hMPS1, PYT, ESK, kinase, Dual Specificity, phosphotyrosine picked threonine kinase, SGC, Structural Genomics Consortium, ATP-binding, Nucleotide-binding, Phosphoprotein, Serine/threonine-protein kinase, Transferase, Tyrosine-protein kinase
Exp. method : X-RAY DIFFRACTION ( 2.600 Å )
Citation :

Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.

Kwiatkowski, N.,Jelluma, N.,Filippakopoulos, P.  et al.
(2010)  Nat.Chem.Biol.  6 : 359 - 368

PubMed: 20383151
DOI: 10.1038/nchembio.345

Reaction

Chain : A
UniProt : P33981 (TTK_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.12.1 PubMed:29162720
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.12.1 PubMed:29162720
-
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.12.1 PubMed:29162720
-