MolNFT v1 · #171445 · protein
Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816
6Z59 · SERINE/THREONINE-protein kinase haspin: “Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816”. X-ray diffraction, 2 ligands (Q98, NA), 1 pocket (best druggability 0.72). MolNFT v1 #171445 on GenesisL1: 3D…
- PDB
- 6Z59
- 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
- Q98, NA
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase haspin (EC 2.7.11.1) | protein | 328 | 39% helix, 24% strand | Q8TF76 |
Ligands and binding sites
- Q98 · 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018, 21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one · ligand · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 517 | 0.72 | 0.81 | 58 | Q98 |
Compared structures
- 6Z59 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816 · 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 6Z59 · PDBe 6Z59 · UniProt Q8TF76
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