Research workbench
Sulfite dehydrogenase from starkeya novella R55M mutant
Analyse Sulfite dehydrogenase from starkeya novella R55M mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CA3
- Type
- protein
- Length
- 454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SULFITE\:CYTOCHROME C oxidoreductase subunit a; SULFITE\:CYTOCHROME C oxidoreductase…
- UniProt
- Q9LA16, Q9LA15
- Ligands
- MSS, HEC, SO4
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SULFITE\:CYTOCHROME C oxidoreductase subunit a | protein | 373 | 11% helix, 39% strand | Q9LA16 |
| B | SULFITE\:CYTOCHROME C oxidoreductase subunit B | protein | 81 | 48% helix, 2% strand | Q9LA15 |
Ligands and binding sites
- MSS · (molybdopterin-S,S)-oxo-molybdenum · ligand · chains A
- HEC · Heme C · ligand · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 719 | 0.84 | 0.87 | 81 | MSS, SO4, HEC |
| 2 | 210 | 0.52 | 0.76 | 29 | empty |
| 3 | 148 | 0.47 | 0.77 | 29 | empty |
| 4 | 106 | 0.45 | 0.79 | 30 | empty |
| 5 | 50 | 0.30 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1383 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor, 1 disulfide (heme c attachment, disulfide).
Compared structures
- 2CA3 · Sulfite dehydrogenase from Starkeya Novella r55m mutant · 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 Q9LA16
- Every structure of UniProt Q9LA15
- Elsewhere: RCSB PDB 2CA3 · PDBe 2CA3 · UniProt Q9LA16 · UniProt Q9LA15
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