Research workbench
TPX2 residues 7-20 fused to aurora a residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-pnp
Analyse TPX2 residues 7-20 fused to aurora a residues 116-389 C247V + D256N + C319V… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6VPI
- Type
- protein
- Length
- 278 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, MG
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TPX2 fragment - aurora a kinase domain fusion (EC 2.7.11.1) | protein | 278 | 37% helix, 19% strand | Q9ULW0, O14965 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- MLA · Malonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 380 | 0.66 | 0.80 | 37 | ANP, MG |
| 2 | 651 | 0.64 | 0.74 | 36 | empty |
Compared structures
- 6VPI · TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple 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 0.89
- 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 0.14
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 6VPI · PDBe 6VPI · UniProt Q9ULW0 · UniProt O14965
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