MolNFT v1 · #65560 · protein
Crystal structure of an adenylated kinase related protein from sulfolobus solfataricus to 3.25A
3H0K · UPF0200 protein SSO1041: “Crystal structure of an adenylated kinase related protein from sulfolobus solfataricus to 3.25A”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.50). MolNFT v1 #65560 on GenesisL1: 3D…
- PDB
- 3H0K
- Type
- protein
- Length
- 340 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0200 protein SSO1041
- UniProt
- Q97Z90
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UPF0200 protein SSO1041 | protein | 171 | 54% helix, 14% strand | Q97Z90 |
| B | UPF0200 protein SSO1041 | protein | 169 | 57% helix, 15% strand | Q97Z90 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.50 | 0.74 | 34 | empty |
| 2 | 135 | 0.48 | 0.79 | 28 | empty |
| 3 | 167 | 0.48 | 0.76 | 28 | empty |
| 4 | 75 | 0.32 | 0.74 | 19 | empty |
| 5 | 66 | 0.27 | 0.71 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 756 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3H0K · Crystal structure of an adenylated kinase related protein from sulfolobus solfataricus to… · the same entry in another collection · chain A against A, TM-score 1.00
- Q97Z90 · AlphaFold monomer V2.0 prediction for UPF0200 protein SSO1041 (Q97Z90) · 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 Q97Z90
- Elsewhere: RCSB PDB 3H0K · PDBe 3H0K · UniProt Q97Z90
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