MolNFT v1 · #74801 · protein
P38 inhibitor-bound
3P7C · Mitogen-activated protein kinase 14: “P38 inhibitor-bound”. X-ray diffraction, 1 ligand (P7C), 5 pockets (best druggability 0.72). MolNFT v1 #74801 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3P7C
- Type
- protein
- Length
- 332 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
- P7C
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 332 | 40% helix, 15% strand | P47811 |
Ligands and binding sites
- P7C · 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea · ligand · chains A
- BOG · octyl beta-D-glucopyranoside · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.72 | 0.82 | 56 | P7C |
| 2 | 228 | 0.64 | 0.82 | 31 | BOG |
| 3 | 100 | 0.37 | 0.74 | 18 | empty |
| 4 | 69 | 0.36 | 0.77 | 18 | empty |
| 5 | 62 | 0.30 | 0.75 | 14 | empty |
Compared structures
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 3P7C · PDBe 3P7C · UniProt P47811
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.