MolNFT v1 · #50526 · protein
Structure of PLK1 in complex with BI2536
2RKU · SERINE/THREONINE-protein kinase PLK1: “Structure of PLK1 in complex with BI2536”. X-ray diffraction, 3 ligands (SRT, R78, ZN), 3 pockets (best druggability 0.70). MolNFT v1 #50526 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2RKU
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase PLK1
- EC
- 2.7.11.21
- UniProt
- P53350
- Ligands
- SRT, R78, ZN
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase PLK1 (EC 2.7.11.21) | protein | 294 | 36% helix, 20% strand | P53350 |
Ligands and binding sites
- SRT · S,R meso-tartaric acid · ligand · 2 copies · chains A
- R78 · 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- TLA · L(+)-tartaric acid · additive · 2 copies · chains A
- TAR · D(-)-tartaric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 555 | 0.70 | 0.79 | 58 | R78, TLA |
| 2 | 100 | 0.45 | 0.79 | 22 | TAR |
| 3 | 52 | 0.29 | 0.76 | 14 | empty |
Compared structures
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 2RKU · PDBe 2RKU · UniProt P53350
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