Research workbench
C-src in complex with tas-120
Analyse C-src in complex with tas-120 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7D5O
- Type
- protein
- Length
- 501 residues
- Chains
- 2
- 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
- P00523
- Ligands
- TZ0
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 247 | 41% helix, 17% strand | P00523 |
| A | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 254 | 43% helix, 15% strand | P00523 |
Ligands and binding sites
- TZ0 · 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 795 | 0.72 | 0.77 | 84 | TZ0 |
| 2 | 402 | 0.67 | 0.79 | 42 | TZ0 |
| 3 | 300 | 0.58 | 0.77 | 37 | empty |
Interfaces
1 interface between chains.
- B–A · 368 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7D5O · C-Src in complex with TAS-120 · the same entry in another collection · chain B against B, 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 P00523
- Elsewhere: RCSB PDB 7D5O · PDBe 7D5O · UniProt P00523
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