MolNFT v1 · #80515 · protein
Kinase domain of csrc in complex with RL103
3TZ7 · Proto-oncogene tyrosine-protein kinase src: “Kinase domain of csrc in complex with RL103”. X-ray diffraction, 1 ligand (AQB), 5 pockets (best druggability 0.74). MolNFT v1 #80515 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3TZ7
- 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
- AQB
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 260 | 43% helix, 17% strand | P00523 |
Ligands and binding sites
- AQB · N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 745 | 0.74 | 0.79 | 68 | AQB |
| 2 | 421 | 0.72 | 0.82 | 41 | AQB |
| 3 | 511 | 0.63 | 0.76 | 55 | empty |
| 4 | 71 | 0.31 | 0.74 | 12 | empty |
| 5 | 50 | 0.29 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 333 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3TZ7 · Kinase domain of cSrc in complex with RL103 · 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 3TZ7 · PDBe 3TZ7 · UniProt P00523
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