Brand  (β version)

PDB ID: 4A4L

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
939 1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide PoSSuM
TLA L(+)-tartaric acid PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4A4L   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR
Release Data : 2012-01-11
Compound :
mol_id molecule chains synonym
1 SERINE/THREONINE-PROTEIN KINASE PLK1 A POLO-LIKE KINASE 1, PLK-1, SERINE/THREONINE-PROTEIN KINASE 13, STPK13, PLK1_HUMAN
ec: 2.7.11.21
fragment: KINASE DOMAIN, RESIDUES 36-345
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN SPODOPTERA FRUGIPERDA  (taxid:7108)
expression_system_common: FALL ARMYWORM
expression_system_cell_line: High Five
expression_system_vector_type: BACULOVIRUS
Authors : Bertrand, J.A., Bossi, R.T.
Keywords : TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.35 Å )
Citation :

5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.

Caruso, M.,Valsasina, B.,Ballinari, D.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 96

PubMed: 22154349
DOI: 10.1016/J.BMCL.2011.11.065

Reaction

Chain : A
UniProt : P53350 (PLK1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.21 PubMed:11202906, PubMed:12207013, PubMed:21880710, PubMed:22325354, PubMed:37440612, PubMed:37674080
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.21 PubMed:11202906, PubMed:12207013, PubMed:21880710, PubMed:37674080
-