› 3q1i

X-ray diffraction
1.4Å resolution

Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1

Released:
DOI: 10.2210/pdb3q1i/pdb
PDB entry 3q1i coloured by chain, front view.
PDB entry 3q1i coloured by chain, side view.
PDB entry 3q1i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1.
Śledź P, Stubbs CJ, Lang S, Yang YQ, McKenzie GJ, Venkitaraman AR, Hyvönen M, Abell C
Angew Chem Int Ed Engl 50 4003-6 (2011)
PMID: 21472932

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127127 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine/threonine-protein kinase PLK1 Chain: A
Molecule details ›
Chain: A
Length: 232 amino acids
Theoretical weight: 26.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53350 (Residues: 371-594; Coverage: 37%)
Gene names: PLK, PLK1
Sequence domains: POLO box duplicated region
Structure domains: POLO box domain
Transcription elongation regulator 1 Chain: E
Molecule details ›
Chain: E
Length: 11 amino acids
Theoretical weight: 1.13 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: O14776 (Residues: 99-107; Coverage: 1%)
Gene names: CA150, TAF2S, TCERG1

Ligands and Environments

3 bound ligands:
Ligand 1PE 1 x 1PE
Ligand PEG 1 x PEG
Ligand PG0 1 x PG0
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P21
Unit cell:
a: 35.5Å b: 51.5Å c: 57.6Å
α: 90° β: 101° γ: 90°
R-values:
R R work R free
0.198 0.197 0.222
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

7 review citations

Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.
Scott et al. (2016)
6 more

5 mentions without citation

From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1.
Śledź et al. (2011)
4 more