MolNFT v1 · #37026 · protein
Organization of the SH3-SH2 unit in active and inactive forms of the C-abl tyrosine kinase
2FO0 · Proto-oncogene tyrosine-protein kinase ABL1 (1B isoform): “Organization of the SH3-SH2 unit in active and inactive forms of the C-abl tyrosine kinase”. X-ray diffraction, 2 ligands (MYR, P16), 9 pockets (best druggability 0.76).…
- PDB
- 2FO0
- Type
- protein
- Length
- 466 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase ABL1 (1B isoform)
- EC
- 2.7.1.112
- Ligands
- MYR, P16
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase ABL1 (1B isoform) (EC 2.7.1.112) | protein | 466 | 32% helix, 23% strand | — |
Ligands and binding sites
- MYR · Myristic acid · ligand · chains A
- P16 · 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 960 | 0.76 | 0.79 | 76 | empty |
| 2 | 189 | 0.75 | 0.90 | 26 | P16 |
| 3 | 107 | 0.59 | 0.86 | 20 | MYR |
| 4 | 266 | 0.54 | 0.76 | 40 | empty |
| 5 | 78 | 0.47 | 0.83 | 19 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 2FO0 · Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine 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
- Elsewhere: RCSB PDB 2FO0 · PDBe 2FO0
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