MolNFT v1 · #63680 · protein
Crystal structure of putative universal stress protein KPN_01444 - ATPase
3FH0: “Crystal structure of putative universal stress protein KPN_01444 - ATPase”. X-ray diffraction, 1 ligand (ADP), 4 pockets (best druggability 0.65). MolNFT v1 #63680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FH0
- Type
- protein
- Length
- 250 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative universal stress protein KPN_01444
- UniProt
- A6T8F5
- Ligands
- ADP
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative universal stress protein KPN_01444 | protein | 125 | 42% helix, 24% strand | A6T8F5 |
| B | Putative universal stress protein KPN_01444 | protein | 125 | 39% helix, 24% strand | A6T8F5 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.65 | 0.80 | 34 | ADP |
| 2 | 313 | 0.62 | 0.79 | 39 | ADP |
| 3 | 222 | 0.53 | 0.77 | 27 | empty |
| 4 | 81 | 0.44 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 416 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3FH0 · Crystal structure of putative universal stress protein KPN_01444 - ATPase · the same entry in another collection · 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 A6T8F5
- Elsewhere: RCSB PDB 3FH0 · PDBe 3FH0 · UniProt A6T8F5
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