MolNFT v1 · #2074 · protein
The complex structure of the MAP kinase P38/SB216995
1BL6 · Protein (MAP kinase P38): “The complex structure of the MAP kinase P38/SB216995”. X-ray diffraction, 1 ligand (SB6), 4 pockets (best druggability 0.70). MolNFT v1 #2074 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1BL6
- Type
- protein
- Length
- 351 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (MAP kinase P38)
- UniProt
- Q16539
- Ligands
- SB6
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (MAP kinase P38) | protein | 351 | 39% helix, 13% strand | Q16539 |
Ligands and binding sites
- SB6 · 4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole · ligand · 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 | 416 | 0.70 | 0.81 | 53 | SB6 |
| 2 | 244 | 0.52 | 0.76 | 35 | empty |
| 3 | 58 | 0.45 | 0.84 | 13 | empty |
| 4 | 51 | 0.26 | 0.73 | 15 | empty |
Compared structures
- 1BL6 · The complex structure of the MAP kinase P38/SB216995 · 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 Q16539
- Elsewhere: RCSB PDB 1BL6 · PDBe 1BL6 · UniProt Q16539
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