MolNFT v1 · #52458 · protein
Structure determination of aurora kinase in complex with inhibitor
2W1G · SERINE/THREONINE-protein kinase 6: “Structure determination of aurora kinase in complex with inhibitor”. X-ray diffraction, 1 ligand (L0G), 2 pockets (best druggability 0.67). MolNFT v1 #52458 on GenesisL1: 3D structure, binding…
- PDB
- 2W1G
- Type
- protein
- Length
- 254 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 6
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- L0G
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 6 (EC 2.7.11.1) | protein | 254 | 41% helix, 17% strand | O14965 |
Ligands and binding sites
- L0G · 2-{4-[(cyclopropylcarbamoyl)amino]-1H-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1H-3,1-benzimidazol-3-ium · 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 | 413 | 0.67 | 0.80 | 41 | L0G |
| 2 | 52 | 0.28 | 0.74 | 12 | empty |
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 2W1G · PDBe 2W1G · UniProt O14965
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