MolNFT v1 · #149527 · protein
Crystal structure of haspin in complex with 5-chlorotubercidin
6G36 · SERINE/THREONINE-protein kinase haspin: “Crystal structure of haspin in complex with 5-chlorotubercidin”. X-ray diffraction, 4 ligands (EKH, CO, NA), 3 pockets (best druggability 0.73). MolNFT v1 #149527 on GenesisL1: 3D structure…
- PDB
- 6G36
- Type
- protein
- Length
- 338 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
- EKH, CO, NA, PO4
- Pockets
- 3 · best druggability 0.73
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 | 338 | 38% helix, 24% strand | Q8TF76 |
Ligands and binding sites
- EKH · 5-chlorotubercidin · ligand · chains A
- CO · Cobalt (II) ion · metal · chains A
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 529 | 0.73 | 0.81 | 64 | EKH |
| 2 | 56 | 0.54 | 0.89 | 16 | empty |
| 3 | 59 | 0.32 | 0.76 | 15 | GOL |
Compared structures
- 6G36 · Crystal structure of haspin in complex with 5-chlorotubercidin · 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 6G36 · PDBe 6G36 · UniProt Q8TF76
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