MolNFT v1 · #99752 · protein
Star 12 bound to analog-sensitive src kinase
4MCV · Proto-oncogene tyrosine-protein kinase src: “Star 12 bound to analog-sensitive src kinase”. X-ray diffraction, 1 ligand (29K), 4 pockets (best druggability 0.75). MolNFT v1 #99752 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4MCV
- Type
- protein
- Length
- 532 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
- 29K
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 267 | 39% helix, 15% strand | P00523 |
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 265 | 37% helix, 16% strand | P00523 |
Ligands and binding sites
- 29K · (7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one · 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 | 949 | 0.75 | 0.78 | 75 | 29K |
| 2 | 407 | 0.68 | 0.80 | 42 | 29K |
| 3 | 261 | 0.57 | 0.78 | 34 | empty |
| 4 | 91 | 0.31 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 531 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4MCV · Star 12 bound to analog-sensitive Src kinase · 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 4MCV · PDBe 4MCV · UniProt P00523
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.