MolNFT v1 · #143224 · protein
Src kinase bound to covalent inhibitor
6ATE · Proto-oncogene tyrosine-protein kinase src: “Src kinase bound to covalent inhibitor”. X-ray diffraction, 1 ligand (6H3), 1 pocket (best druggability 0.67). MolNFT v1 #143224 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6ATE
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase src
- EC
- 2.7.10.2
- UniProt
- P12931
- Ligands
- 6H3
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 255 | 40% helix, 16% strand | P12931 |
Ligands and binding sites
- 6H3 · N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl) phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.67 | 0.86 | 28 | 6H3 |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6ATE · SRC kinase bound to covalent inhibitor · 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 6ATE · PDBe 6ATE · UniProt P12931
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