MolNFT v1 · #81349 · protein
Aurora a in complex with RPM1679
3UNZ · Aurora kinase a: “Aurora a in complex with RPM1679”. X-ray diffraction, 1 ligand (0BZ), 6 pockets (best druggability 0.84). MolNFT v1 #81349 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UNZ
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurora kinase a
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- 0BZ
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aurora kinase a (EC 2.7.11.1) | protein | 263 | 39% helix, 18% strand | O14965 |
Ligands and binding sites
- 0BZ · 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1132 | 0.84 | 0.85 | 81 | empty |
| 2 | 303 | 0.75 | 0.87 | 39 | 0BZ |
| 3 | 395 | 0.74 | 0.84 | 51 | 0BZ |
| 4 | 100 | 0.43 | 0.78 | 16 | empty |
| 5 | 65 | 0.39 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1378 Ų buried · 19 hydrogen bonds · protein-protein
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 3UNZ · PDBe 3UNZ · UniProt O14965
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