Research workbench
TPX2 residues 7-20 fused to aurora a residues 116-389 modified with cacodylate and in complex with AMP-pnp
Analyse TPX2 residues 7-20 fused to aurora a residues 116-389 modified with cacodylate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6VPH
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TPX2 fragment - aurora a kinase domain fusion modified by cacodyate
- EC
- 2.7.11.1
- UniProt
- Q9ULW0, O14965
- Ligands
- ANP, CL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TPX2 fragment - aurora a kinase domain fusion modified by cacodyate (EC 2.7.11.1) | protein | 284 | 40% helix, 17% strand | Q9ULW0, O14965 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- DTD · Dithiane diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.68 | 0.82 | 35 | DTD, ANP |
| 2 | 273 | 0.51 | 0.74 | 31 | empty |
| 3 | 66 | 0.32 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 4 modified (artifact, phosphorylation).
Compared structures
- 6VPH · TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in… · 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 0.15
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 6VPH · PDBe 6VPH · UniProt Q9ULW0 · UniProt O14965
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