MolNFT v1 · #80517 · protein
Kinase domain of csrc in complex with RL130
3TZ9 · Proto-oncogene tyrosine-protein kinase src: “Kinase domain of csrc in complex with RL130”. X-ray diffraction, 1 ligand (AQU), 4 pockets (best druggability 0.74). MolNFT v1 #80517 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3TZ9
- 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
- AQU
- Pockets
- 4 · best druggability 0.74
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 | 40% helix, 16% strand | P00523 |
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 259 | 41% helix, 15% strand | P00523 |
Ligands and binding sites
- AQU · 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 971 | 0.74 | 0.77 | 91 | AQU |
| 2 | 324 | 0.72 | 0.85 | 31 | AQU |
| 3 | 364 | 0.60 | 0.77 | 41 | empty |
| 4 | 51 | 0.26 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 327 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3TZ9 · Kinase domain of cSrc in complex with RL130 · 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 3TZ9 · PDBe 3TZ9 · UniProt P00523
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