MolNFT v1 · #63205 · protein
Crystal structure of human haspin with an imidazo-pyridazine ligand
3F2N · SERINE/THREONINE-protein kinase haspin: “Crystal structure of human haspin with an imidazo-pyridazine ligand”. X-ray diffraction, 2 ligands (IZZ, PO4), 2 pockets (best druggability 0.71). MolNFT v1 #63205 on GenesisL1: 3D structure…
- PDB
- 3F2N
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase haspin
- EC
- 2.7.11.1
- UniProt
- Q8TF76
- Ligands
- IZZ, PO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase haspin (EC 2.7.11.1) | protein | 328 | 38% helix, 24% strand | Q8TF76 |
Ligands and binding sites
- IZZ · (2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · 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 | 584 | 0.71 | 0.79 | 52 | IZZ |
| 2 | 53 | 0.31 | 0.77 | 17 | empty |
Compared structures
- 3F2N · Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand · the same entry in another collection · chain A against A, TM-score 1.00
- Q8TF76 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase haspin (Q8TF76) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q8TF76
- Elsewhere: RCSB PDB 3F2N · PDBe 3F2N · UniProt Q8TF76
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