MolNFT v1 · #52454 · protein
Structure determination of aurora kinase in complex with inhibitor
2W1C · SERINE/THREONINE-protein kinase 6: “Structure determination of aurora kinase in complex with inhibitor”. X-ray diffraction, 1 ligand (L0C), 1 pocket (best druggability 0.72). MolNFT v1 #52454 on GenesisL1: 3D structure, binding…
- PDB
- 2W1C
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 6
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- L0C
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 6 (EC 2.7.11.1) | protein | 263 | 40% helix, 18% strand | O14965 |
Ligands and binding sites
- L0C · 4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1H-pyrazol-3-yl)-1H-benzimidazol-6-yl]methyl}morpholin-4-ium · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 659 | 0.72 | 0.79 | 67 | L0C |
Modifications
Observed in the structure: 2 modified (phosphorylation).
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 O14965
- Elsewhere: RCSB PDB 2W1C · PDBe 2W1C · UniProt O14965
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