MolNFT v1 · #144386 · protein
JAK2 JH2 in complex with xmu-mp-1
6BRW · Tyrosine-protein kinase JAK2: “JAK2 JH2 in complex with xmu-mp-1”. X-ray diffraction, 1 ligand (5BS), 2 pockets (best druggability 0.64). MolNFT v1 #144386 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BRW
- Type
- protein
- Length
- 272 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
- 5BS
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 272 | 43% helix, 21% strand | O60674 |
Ligands and binding sites
- 5BS · 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide · ligand · chains A
- GOL · Glycerol · additive · chains A
- ACT · Acetate ion · additive · 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 | 306 | 0.64 | 0.80 | 38 | 5BS, ACT |
| 2 | 57 | 0.33 | 0.77 | 18 | empty |
Compared structures
- 6BRW · JAK2 JH2 in complex with XMU-MP-1 · 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 6BRW · PDBe 6BRW · UniProt O60674
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