MolNFT v1 · #60056 · protein
Irak-4 inhibitors (part II)- a structure based assessment of IMIDAZO[1,2 A]PYRIDINE binding
3CGF · Mitogen-activated protein kinase 10: “Irak-4 inhibitors (part II)- a structure based assessment of IMIDAZO[1,2 A]PYRIDINE binding”. X-ray diffraction, 1 ligand (JNF), 2 pockets (best druggability 0.70). MolNFT v1 #60056 on…
- PDB
- 3CGF
- Type
- protein
- Length
- 346 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 10
- EC
- 2.7.11.24
- UniProt
- P53779
- Ligands
- JNF
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 346 | 39% helix, 17% strand | P53779 |
Ligands and binding sites
- JNF · N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 552 | 0.70 | 0.79 | 51 | JNF |
| 2 | 54 | 0.30 | 0.75 | 16 | empty |
Compared structures
- 3CGF · IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine… · the same entry in another collection · chain A against A, TM-score 1.00
- P53779 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 10 (P53779) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P53779
- Elsewhere: RCSB PDB 3CGF · PDBe 3CGF · UniProt P53779
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