MolNFT v1 · #53878 · protein
Structure of aurora a in complex with MLN8054
2X81 · SERINE/THREONINE-protein kinase 6: “Structure of aurora a in complex with MLN8054”. X-ray diffraction, 1 ligand (ZZL), 1 pocket (best druggability 0.62). MolNFT v1 #53878 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X81
- Type
- protein
- Length
- 242 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
- ZZL
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 6 (EC 2.7.11.1) | protein | 242 | 43% helix, 17% strand | O14965 |
Ligands and binding sites
- ZZL · 4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid · 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 | 399 | 0.62 | 0.77 | 38 | ZZL |
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 2X81 · PDBe 2X81 · UniProt O14965
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