Research workbench
Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment KCL063 in complex with MAP kinase P38-alpha
Analyse Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment KCL063… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5R92
- 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
- SO7, MG, CL, SO4
- Pockets
- 7 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 345 | 42% helix, 15% strand | P47811 |
Ligands and binding sites
- SO7 · (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 5 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
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 | 362 | 0.63 | 0.78 | 43 | SO7 |
| 2 | 146 | 0.46 | 0.76 | 31 | empty |
| 3 | 96 | 0.39 | 0.76 | 21 | CL, DMS |
| 4 | 102 | 0.38 | 0.75 | 16 | empty |
| 5 | 71 | 0.31 | 0.74 | 17 | empty |
Compared structures
- 5R92 · PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL063 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 5R92 · PDBe 5R92 · UniProt P47811
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