Research workbench
Crystal structure of a P38ALPHA T185G mutant in complex with TAB1 peptide.
Analyse Crystal structure of a P38ALPHA T185G mutant in complex with TAB1 peptide. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5O90
- Type
- protein
- Length
- 349 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14; TGF-beta-activated kinase 1 and MAP3K7-binding…
- EC
- 2.7.11.24
- UniProt
- P47811, Q15750
- Ligands
- SB4
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 330 | 38% helix, 16% strand | P47811 |
| B | TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | protein | 19 | 0% helix, 0% strand | Q15750 |
Ligands and binding sites
- SB4 · 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 243 | 0.70 | 0.85 | 34 | SB4 |
| 2 | 79 | 0.41 | 0.79 | 21 | empty |
| 3 | 82 | 0.34 | 0.75 | 18 | empty |
| 4 | 71 | 0.33 | 0.75 | 21 | empty |
| 5 | 75 | 0.31 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 997 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5O90 · Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. · the same entry in another collection · chain A against A, TM-score 1.00
- Q15750 · AlphaFold monomer V2.0 prediction for TGF-beta-activated kinase 1 and MAP3K7-binding… · a predicted model of the same protein · chain B against A, TM-score 0.17
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 P47811
- Every structure of UniProt Q15750
- Elsewhere: RCSB PDB 5O90 · PDBe 5O90 · UniProt P47811 · UniProt Q15750
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