MolNFT v1 · #147223 · protein
Dgy-06-116, a novel and selective covalent inhibitor of src kinase
6E6E: “Dgy-06-116, a novel and selective covalent inhibitor of src kinase”. X-ray diffraction, 1 ligand (HVY). MolNFT v1 #147223 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6E6E
- Type
- protein
- Length
- 2,124 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P12931
- Ligands
- HVY
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | — | protein | 266 | — | P12931 |
| G, H | — | protein | 264 | — | P12931 |
Ligands and binding sites
- HVY · N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino) phenyl]amino}pyrimidine-5-carboxamide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6E6E · DGY-06-116, a novel and selective covalent inhibitor of SRC kinase · 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 P12931
- Elsewhere: RCSB PDB 6E6E · PDBe 6E6E · UniProt P12931
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