MolNFT v1 · #17042 · protein
The crystal structure of plant sulfite oxidase provides insight into sulfite oxidation in plants and animals
1OGP: “The crystal structure of plant sulfite oxidase provides insight into sulfite oxidation in plants and animals”. X-ray diffraction, 2 ligands (MTQ, CS), 20 pockets (best druggability 0.87). MolNFT v1 #17042 on GenesisL1: 3D structure…
- PDB
- 1OGP
- Type
- protein
- Length
- 2,328 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfite oxidase
- EC
- 1.8.3.1
- UniProt
- Q9S850
- Ligands
- MTQ, CS
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Sulfite oxidase (EC 1.8.3.1) | protein | 388 | 13% helix, 32% strand | Q9S850 |
Ligands and binding sites
- MTQ · (molybdopterin-S,S)-dioxo-thio-molybdenum(vi) · ligand · 6 copies · chains A, B, C, D, E, F
- CS · Cesium ion · metal · 12 copies · chains A, B, C, D, E, F
- GOL · Glycerol · additive · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.87 | 0.88 | 92 | empty |
| 2 | 1056 | 0.84 | 0.85 | 78 | GOL |
| 3 | 1076 | 0.84 | 0.85 | 77 | GOL |
| 4 | 1062 | 0.83 | 0.84 | 70 | GOL |
| 5 | 97 | 0.78 | 0.99 | 22 | MTQ |
Interfaces
6 interfaces between chains.
- A–B · 1789 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1761 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1760 Ų buried · 23 hydrogen bonds · protein-protein
- A–E · 801 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 703 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1OGP · The crystal structure of plant sulfite oxidase provides insight into sulfite oxidation in… · the same entry in another collection · chain C against C, TM-score 1.00
- Q9S850 · AlphaFold monomer V2.0 prediction for sulfite oxidase (Q9S850) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9S850
- Elsewhere: RCSB PDB 1OGP · PDBe 1OGP · UniProt Q9S850
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