Research workbench
Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in complex with 1-{5-[2-(1-methyl-1H-PYRAZOLO[4,3-D]PYRIMIDIN- 7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Analyse Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3D2I
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE kinase 6
- EC
- 2.7.11.1
- UniProt
- Q8C3H8
- Ligands
- AK3
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE kinase 6 (EC 2.7.11.1) | protein | 255 | 39% helix, 20% strand | Q8C3H8 |
Ligands and binding sites
- AK3 · 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.73 | 0.82 | 42 | AK3 |
| 2 | 71 | 0.38 | 0.78 | 14 | empty |
Compared structures
- 3D2I · Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8C3H8
- Elsewhere: RCSB PDB 3D2I · PDBe 3D2I · UniProt Q8C3H8
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