Research workbench
Crystal structure of an archaeal aaa+ ATPase (SSO1545) from sulfolobus solfataricus P2 at 2.00 a resolution
Analyse Crystal structure of an archaeal aaa+ ATPase (SSO1545) from sulfolobus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FNA
- Type
- protein
- Length
- 704 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein
- Ligands
- ADP, MG
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Conserved hypothetical protein | protein | 352 | 54% helix, 12% strand | — |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.79 | 0.81 | 80 | MG, ADP, EDO |
| 2 | 222 | 0.69 | 0.85 | 31 | MG, ADP |
| 3 | 177 | 0.54 | 0.79 | 22 | empty |
| 4 | 123 | 0.52 | 0.81 | 22 | empty |
| 5 | 109 | 0.51 | 0.82 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 534 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2FNA · Crystal structure of an archaeal aaa+ atpase (sso1545) from sulfolobus solfataricus p2 at… · 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
- Elsewhere: RCSB PDB 2FNA · PDBe 2FNA
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