MolNFT v1 · #132724 · protein
Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment KCL057 in complex with MAP kinase P38-alpha
5R91 · Mitogen-activated protein kinase 14: “Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment KCL057 in complex with MAP kinase…”. X-ray diffraction, 4 ligands (SNV, MG, CL), 8 pockets (best druggability 0.65).…
- PDB
- 5R91
- Type
- protein
- Length
- 346 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.11.24
- UniProt
- P47811
- Ligands
- SNV, MG, CL, SO4
- Pockets
- 8 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 346 | 41% helix, 15% strand | P47811 |
Ligands and binding sites
- SNV · 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 495 | 0.65 | 0.77 | 50 | ACT |
| 2 | 78 | 0.38 | 0.77 | 16 | empty |
| 3 | 74 | 0.37 | 0.77 | 18 | CL |
| 4 | 88 | 0.36 | 0.75 | 16 | empty |
| 5 | 60 | 0.30 | 0.75 | 13 | empty |
Compared structures
- 5R91 · PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL057 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 P47811
- Elsewhere: RCSB PDB 5R91 · PDBe 5R91 · UniProt P47811
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