MolNFT v1 · #80516 · protein
Kinase domain of csrc in complex with RL104
3TZ8 · Proto-oncogene tyrosine-protein kinase src: “Kinase domain of csrc in complex with RL104”. X-ray diffraction, 1 ligand (AQM), 3 pockets (best druggability 0.77). MolNFT v1 #80516 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3TZ8
- Type
- protein
- Length
- 524 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
- AQM
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 43% 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 | 43% helix, 16% strand | P00523 |
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 263 | 42% helix, 16% strand | P00523 |
Ligands and binding sites
- AQM · N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide · ligand · 2 copies · chains A, B
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 | 984 | 0.77 | 0.79 | 91 | AQM |
| 2 | 454 | 0.72 | 0.82 | 46 | AQM |
| 3 | 375 | 0.59 | 0.76 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 429 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3TZ8 · Kinase domain of cSrc in complex with RL104 · 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 3TZ8 · PDBe 3TZ8 · UniProt P00523
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