MolNFT v1 · #184427 · protein
Crystal structure of haspin in complex with ZW282 (compound 2A)
7OPS · SERINE/THREONINE-protein kinase haspin: “Crystal structure of haspin in complex with ZW282 (compound 2A)”. X-ray diffraction, 1 ligand (07C), 2 pockets (best druggability 0.70). MolNFT v1 #184427 on GenesisL1: 3D structure, binding…
- PDB
- 7OPS
- 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
- 07C
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase haspin (EC 2.7.11.1) | protein | 328 | 38% helix, 23% strand | Q8TF76 |
Ligands and binding sites
- 07C · 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline · ligand · chains A
- GOL · Glycerol · 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 | 520 | 0.70 | 0.79 | 55 | 07C |
| 2 | 75 | 0.37 | 0.77 | 19 | empty |
Compared structures
- 7OPS · Crystal structure of haspin in complex with ZW282 (compound 2a) · 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 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 Q8TF76
- Elsewhere: RCSB PDB 7OPS · PDBe 7OPS · UniProt Q8TF76
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