MolNFT v1 · #66307 · protein
The crystal structure of human ABL2 in complex with 5-amino-3-{[4- (AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-difluorophenyl)-1H-1,2,4- triazole-1-carbothioamide
3HMI · Tyrosine-protein kinase ABL2: “The crystal structure of human ABL2 in complex with 5-amino-3-{[4…”. X-ray diffraction, 1 ligand (DKI), 2 pockets (best druggability 0.65). MolNFT v1 #66307 on GenesisL1: 3D structure, binding sites…
- PDB
- 3HMI
- Type
- protein
- Length
- 268 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
- DKI
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase ABL2 (EC 2.7.10.2) | protein | 268 | 43% helix, 17% strand | P42684 |
Ligands and binding sites
- DKI · 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 414 | 0.65 | 0.78 | 45 | DKI |
| 2 | 106 | 0.51 | 0.81 | 18 | 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 3HMI · PDBe 3HMI · UniProt P42684
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