Research workbench
Crystal structure of a putative oxidoreductase of the DSRE/DSRF-like family (SSO1126) from sulfolobus solfataricus P2 at 2.09 a resolution
Analyse Crystal structure of a putative oxidoreductase of the DSRE/DSRF-like family… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QS7
- Type
- protein
- Length
- 552 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q97Z17
- Ligands
- CL
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Uncharacterized protein | protein | 138 | 51% helix, 20% strand | Q97Z17 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B, C, D
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 601 | 0.74 | 0.81 | 52 | CL |
| 2 | 281 | 0.57 | 0.77 | 33 | empty |
| 3 | 235 | 0.55 | 0.78 | 29 | empty |
| 4 | 206 | 0.52 | 0.77 | 25 | empty |
| 5 | 153 | 0.47 | 0.77 | 22 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1205 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1181 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 1162 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 335 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 152 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 2QS7 · CRYSTAL STRUCTURE OF a putative oxidoreductase of the DsrE/DsrF-like family (SSO1126)… · the same entry in another collection · chain C against C, 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 Q97Z17
- Elsewhere: RCSB PDB 2QS7 · PDBe 2QS7 · UniProt Q97Z17
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