Research workbench
Crystal structure of R138Q mutant of recombinant chicken sulfite oxidase with the bound product, sulfate, at the active site
Analyse Crystal structure of R138Q mutant of recombinant chicken sulfite oxidase with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2A9C
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfite oxidase
- EC
- 1.8.3.1
- UniProt
- P07850
- Ligands
- MTE, MO, SO4
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sulfite oxidase (EC 1.8.3.1) | protein | 359 | 13% helix, 38% strand | P07850 |
Ligands and binding sites
- MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · ligand · 2 copies · chains A, B
- MO · Molybdenum atom · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.76 | 0.98 | 22 | MTE, MO |
| 2 | 1151 | 0.76 | 0.79 | 81 | GOL |
| 3 | 90 | 0.75 | 0.97 | 24 | MTE, MO |
| 4 | 171 | 0.50 | 0.78 | 27 | empty |
| 5 | 142 | 0.48 | 0.78 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1491 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2A9C · Crystal structure of R138Q mutant of recombinant chicken sulfite oxidase with the bound… · the same entry in another collection · chain A against A, TM-score 1.00
- P07850 · AlphaFold monomer V2.0 prediction for sulfite oxidase (P07850) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P07850
- Elsewhere: RCSB PDB 2A9C · PDBe 2A9C · UniProt P07850
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