MolNFT v1 · #30544 · protein
Human drp-1 kinase, W305S S308A D40 mutant, crystal form with 8 monomers in the asymmetric unit
2A27 · Death-associated protein kinase 2: “Human drp-1 kinase, W305S S308A D40 mutant, crystal form with 8 monomers in the asymmetric unit”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #30544 on GenesisL1: 3D…
- PDB
- 2A27
- Type
- protein
- Length
- 2,427 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Death-associated protein kinase 2
- EC
- 2.7.1.37
- UniProt
- Q9UIK4
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, H | Death-associated protein kinase 2 (EC 2.7.1.37) | protein | 304 | 37% helix, 17% strand | Q9UIK4 |
| B, C, E, F, G | Death-associated protein kinase 2 (EC 2.7.1.37) | protein | 303 | 38% helix, 17% strand | Q9UIK4 |
Ligands and binding sites
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 8 copies · chains A, E, B, C, D, G, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.84 | 0.85 | 137 | DTT |
| 2 | 744 | 0.79 | 0.83 | 77 | DTT |
| 3 | 479 | 0.78 | 0.86 | 62 | empty |
| 4 | 1016 | 0.78 | 0.80 | 75 | empty |
| 5 | 588 | 0.78 | 0.84 | 62 | empty |
Interfaces
7 interfaces between chains.
- F–H · 1680 Ų buried · 14 hydrogen bonds · protein-protein
- D–G · 1611 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 1608 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1573 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 669 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2A27 · Human DRP-1 kinase, W305S S308A D40 mutant, crystal form with 8 monomers in the… · the same entry in another collection · chain H against H, TM-score 1.00
- Q9UIK4 · AlphaFold monomer V2.0 prediction for death-associated protein kinase 2 (Q9UIK4) · a predicted model of the same protein · chain F against A, TM-score 0.99
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 Q9UIK4
- Elsewhere: RCSB PDB 2A27 · PDBe 2A27 · UniProt Q9UIK4
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