MolNFT v1 · #101812 · protein
Kinase domain of csrc in complex with a substituted pyrazolopyrimidine
4O2P · Proto-oncogene tyrosine-protein kinase src: “Kinase domain of csrc in complex with a substituted pyrazolopyrimidine”. X-ray diffraction, 1 ligand (11V), 7 pockets (best druggability 0.68). MolNFT v1 #101812 on GenesisL1: 3D…
- PDB
- 4O2P
- Type
- protein
- Length
- 530 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
- 11V
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 265 | 43% helix, 17% strand | P00523 |
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 265 | 40% helix, 18% strand | P00523 |
Ligands and binding sites
- 11V · 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 616 | 0.68 | 0.77 | 56 | 11V |
| 2 | 410 | 0.65 | 0.78 | 50 | 11V |
| 3 | 422 | 0.62 | 0.77 | 42 | empty |
| 4 | 71 | 0.49 | 0.84 | 18 | empty |
| 5 | 110 | 0.36 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 364 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4O2P · Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine · 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 P00523
- Elsewhere: RCSB PDB 4O2P · PDBe 4O2P · UniProt P00523
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.