MolNFT v1 · #39623 · protein
Abl kinase domain in complex with nvp-AFG210
2HZN · Proto-oncogene tyrosine-protein kinase ABL1: “Abl kinase domain in complex with nvp-AFG210”. X-ray diffraction, 1 ligand (KIN), 2 pockets (best druggability 0.76). MolNFT v1 #39623 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2HZN
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase ABL1
- EC
- 2.7.10.2
- UniProt
- Q61258
- Ligands
- KIN
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 272 | 40% helix, 17% strand | Q61258 |
Ligands and binding sites
- KIN · 1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea · 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 | 700 | 0.76 | 0.81 | 68 | KIN |
| 2 | 64 | 0.51 | 0.85 | 16 | empty |
Compared structures
- 2HZN · Abl kinase domain in complex with NVP-AFG210 · 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 Q61258
- Elsewhere: RCSB PDB 2HZN · PDBe 2HZN · UniProt Q61258
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