MolNFT v1 · #168869 · protein
Human JAK2 JH1 domain in complex with protac-intermediate linker handle 4
6WTQ · Tyrosine-protein kinase JAK2: “Human JAK2 JH1 domain in complex with protac-intermediate linker handle 4”. X-ray diffraction, 1 ligand (U8J), 2 pockets (best druggability 0.48). MolNFT v1 #168869 on GenesisL1: 3D structure, binding…
- PDB
- 6WTQ
- Type
- protein
- Length
- 265 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
- U8J
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 265 | 49% helix, 17% strand | O60674 |
Ligands and binding sites
- U8J · N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2, 3-d]pyrimidin-2-yl]amino}benzamide · ligand · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- EDO · 1,2-ethanediol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.48 | 0.77 | 20 | U8J |
| 2 | 91 | 0.35 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 6WTQ · Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 · 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 6WTQ · PDBe 6WTQ · UniProt O60674
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