MolNFT v1 · #164135 · protein
Fragment N14056A in complex with MAP kinase P38-alpha
6SOD · Mitogen-activated protein kinase 14: “Fragment N14056A in complex with MAP kinase P38-alpha”. X-ray diffraction, 4 ligands (LOE, MG, CL), 7 pockets (best druggability 0.65). MolNFT v1 #164135 on GenesisL1: 3D structure, binding…
- PDB
- 6SOD
- Type
- protein
- Length
- 345 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
- LOE, MG, CL, SO4
- Pockets
- 7 · 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 | 345 | 41% helix, 15% strand | P47811 |
Ligands and binding sites
- LOE · 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 7 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.65 | 0.78 | 43 | empty |
| 2 | 79 | 0.38 | 0.77 | 20 | CL |
| 3 | 69 | 0.38 | 0.78 | 15 | empty |
| 4 | 85 | 0.35 | 0.75 | 16 | empty |
| 5 | 50 | 0.33 | 0.78 | 20 | empty |
Compared structures
- 6SOD · Fragment N14056a in complex with MAP kinase p38-alpha · 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 6SOD · PDBe 6SOD · UniProt P47811
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