MolNFT v1 · #65396 · protein
The crystal structure of human ABL2 in complex with gleevec
3GVU · Tyrosine-protein kinase ABL2: “The crystal structure of human ABL2 in complex with gleevec”. X-ray diffraction, 1 ligand (STI), 3 pockets (best druggability 0.75). MolNFT v1 #65396 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3GVU
- Type
- protein
- Length
- 271 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase ABL2
- EC
- 2.7.10.2
- UniProt
- P42684
- Ligands
- STI
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase ABL2 (EC 2.7.10.2) | protein | 271 | 44% helix, 15% strand | P42684 |
Ligands and binding sites
- STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 567 | 0.75 | 0.82 | 69 | STI |
| 2 | 106 | 0.48 | 0.80 | 19 | STI |
| 3 | 101 | 0.37 | 0.75 | 22 | empty |
Compared structures
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 P42684
- Elsewhere: RCSB PDB 3GVU · PDBe 3GVU · UniProt P42684
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.