MolNFT v1 · #74650 · protein
Polo-like kinase I polo-box domain in complex with mqsptpl phosphopeptide
3P34 · SERINE/THREONINE-protein kinase PLK1: “Polo-like kinase I polo-box domain in complex with mqsptpl phosphopeptide”. X-ray diffraction, 3 ligands (ACE, SO4, NH2), 1 pocket (best druggability 0.39). MolNFT v1 #74650 on GenesisL1: 3D…
- PDB
- 3P34
- Type
- protein
- Length
- 236 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase PLK1; Phosphopeptide
- EC
- 2.7.11.21
- UniProt
- P53350
- Ligands
- ACE, SO4, NH2
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase PLK1 (EC 2.7.11.21) | protein | 230 | 29% helix, 29% strand | P53350 |
| B | Phosphopeptide | protein | 6 | 0% helix, 33% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- NH2 · Amino group · ion · chains B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.39 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 532 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).
Compared structures
- 3P34 · Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P53350
- Elsewhere: RCSB PDB 3P34 · PDBe 3P34 · UniProt P53350
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