Research workbench
Fragment KCL_914 in complex with MAP kinase P38-alpha
Analyse Fragment KCL_914 in complex with MAP kinase P38-alpha in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Y7Z
- 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
- OG2, SB4, CA, CL, SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 345 | 39% helix, 16% strand | P47811 |
Ligands and binding sites
- OG2 · 1-(1-adamantyl)-3-ethyl-guanidine · ligand · chains A
- SB4 · 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.69 | 0.85 | 32 | SB4 |
| 2 | 320 | 0.57 | 0.76 | 42 | empty |
| 3 | 60 | 0.29 | 0.73 | 13 | OG2, SO4 |
| 4 | 59 | 0.26 | 0.72 | 10 | empty |
Compared structures
- 6Y7Z · Fragment KCL_914 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 6Y7Z · PDBe 6Y7Z · UniProt P47811
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