MolNFT v1 · #138420 · protein
JAK2 pseudokinase in complex with AT9283
5WIM · Tyrosine-protein kinase JAK2: “JAK2 pseudokinase in complex with AT9283”. X-ray diffraction, 1 ligand (35R), 2 pockets (best druggability 0.69). MolNFT v1 #138420 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WIM
- Type
- protein
- Length
- 274 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase JAK2
- EC
- 2.7.10.2
- UniProt
- O60674
- Ligands
- 35R
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 274 | 40% helix, 21% strand | O60674 |
Ligands and binding sites
- 35R · 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.69 | 0.83 | 46 | 35R |
| 2 | 83 | 0.37 | 0.76 | 18 | empty |
Compared structures
- 5WIM · JAK2 Pseudokinase in complex with AT9283 · 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 O60674
- Elsewhere: RCSB PDB 5WIM · PDBe 5WIM · UniProt O60674
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