MolNFT v1 · #63241 · protein
Kinase domain of csrc in complex with inhibitor RL38 (type III)
3F3T · Proto-oncogene tyrosine-protein kinase src: “Kinase domain of csrc in complex with inhibitor RL38 (type III)”. X-ray diffraction, 1 ligand (1AU), 3 pockets (best druggability 0.76). MolNFT v1 #63241 on GenesisL1: 3D structure…
- PDB
- 3F3T
- Type
- protein
- Length
- 520 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
- 1AU
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 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 | 261 | 42% helix, 17% strand | P00523 |
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 259 | 39% helix, 14% strand | P00523 |
Ligands and binding sites
- 1AU · 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea · ligand · 2 copies · chains 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 | 700 | 0.76 | 0.81 | 71 | 1AU |
| 2 | 289 | 0.60 | 0.79 | 37 | empty |
| 3 | 243 | 0.55 | 0.77 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 406 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3F3T · Kinase domain of cSrc in complex with inhibitor RL38 (Type III) · 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 3F3T · PDBe 3F3T · UniProt P00523
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.