MolNFT v1 · #167594 · protein
TPX2 residues 7-20 fused to aurora a residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-pnp
6VPJ · TPX2 fragment - aurora a kinase domain fusion: “TPX2 residues 7-20 fused to aurora a residues 116-389 C247V + C319V double mutant dephosphorylated, and in…”. X-ray diffraction, 2 ligands (ANP, GLC), 4 pockets (best druggability…
- PDB
- 6VPJ
- Type
- protein
- Length
- 279 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TPX2 fragment - aurora a kinase domain fusion
- EC
- 2.7.11.1
- UniProt
- Q9ULW0, O14965
- Ligands
- ANP, GLC
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TPX2 fragment - aurora a kinase domain fusion (EC 2.7.11.1) | protein | 279 | 39% helix, 17% strand | Q9ULW0, O14965 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 280 | 0.66 | 0.82 | 32 | ANP |
| 2 | 239 | 0.59 | 0.79 | 32 | empty |
| 3 | 163 | 0.43 | 0.74 | 21 | empty |
| 4 | 51 | 0.32 | 0.77 | 11 | empty |
Compared structures
- 6VPJ · TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant… · the same entry in another collection · chain A against A, TM-score 1.00
- O14965 · AlphaFold monomer V2.0 prediction for aurora kinase a (O14965) · a predicted model of the same protein · chain A against A, TM-score 0.81
- Q9ULW0 · AlphaFold monomer V2.0 prediction for targeting protein for XKLP2 (Q9ULW0) · a predicted model of the same protein · chain A against A, TM-score 0.19
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 Q9ULW0
- Every structure of UniProt O14965
- Elsewhere: RCSB PDB 6VPJ · PDBe 6VPJ · UniProt Q9ULW0 · UniProt O14965
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