MolNFT v1 · #151221 · protein
Structure of C-kit with allosteric inhibitor 3G8
6HH1 · MAST/STEM cell growth factor receptor KIT,MAST/STEM cell…: “Structure of C-kit with allosteric inhibitor 3G8”. X-ray diffraction, 2 ligands (G4E, PO4), 2 pockets (best druggability 0.75). MolNFT v1 #151221 on GenesisL1: 3D…
- PDB
- 6HH1
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MAST/STEM cell growth factor receptor KIT,MAST/STEM cell growth factor receptor kit
- EC
- 2.7.10.1
- UniProt
- P10721
- Ligands
- G4E, PO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MAST/STEM cell growth factor receptor KIT,MAST/STEM cell growth factor receptor kit (EC 2.7.10.1) | protein | 303 | 42% helix, 18% strand | P10721 |
Ligands and binding sites
- G4E · ~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine · ligand · chains A
- PO4 · Phosphate ion · ion · 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 | 677 | 0.75 | 0.80 | 66 | G4E |
| 2 | 67 | 0.37 | 0.78 | 16 | empty |
Compared structures
- 6HH1 · Structure of c-Kit with allosteric inhibitor 3G8 · the same entry in another collection · chain A against A, TM-score 1.00
- P10721 · AlphaFold monomer V2.0 prediction for MAST/STEM cell growth factor receptor kit (P10721) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P10721
- Elsewhere: RCSB PDB 6HH1 · PDBe 6HH1 · UniProt P10721
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