MolNFT v1 · #30776 · protein
Crystal structure of R138Q mutant of recombinant sulfite oxidase at resting state
2A9B: “Crystal structure of R138Q mutant of recombinant sulfite oxidase at resting state”. X-ray diffraction, 3 ligands (MTE, MO, CL), 3 pockets (best druggability 0.78). MolNFT v1 #30776 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2A9B
- Type
- protein
- Length
- 372 residues
- Chains
- 1
- 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, CL
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfite oxidase (EC 1.8.3.1) | protein | 372 | 12% helix, 36% 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 · chains A
- MO · Molybdenum atom · metal · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.78 | 0.98 | 25 | MTE, MO |
| 2 | 135 | 0.49 | 0.79 | 23 | empty |
| 3 | 60 | 0.33 | 0.77 | 21 | CL |
Compared structures
- 2A9B · Crystal structure of R138Q mutant of recombinant sulfite oxidase at resting state · 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 2A9B · PDBe 2A9B · UniProt P07850
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