MolNFT v1 · #81503 · protein
Crystal structure of cysteine dioxygenase from pseudomonas aeruginosa
3USS · Putative uncharacterized protein: “Crystal structure of cysteine dioxygenase from pseudomonas aeruginosa”. X-ray diffraction, 4 ligands (NA, FE2, SO4), 5 pockets (best druggability 0.61). MolNFT v1 #81503 on GenesisL1: 3D structure…
- PDB
- 3USS
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- EC
- 1.13.11.20
- UniProt
- Q9I0N5
- Ligands
- NA, FE2, SO4, CL
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative uncharacterized protein (EC 1.13.11.20) | protein | 196 | 21% helix, 34% strand | Q9I0N5 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B
- FE2 · Fe (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
- CL · Chloride ion · ion · 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 | 105 | 0.61 | 0.87 | 30 | SO4 |
| 2 | 96 | 0.54 | 0.84 | 27 | SO4 |
| 3 | 151 | 0.43 | 0.75 | 27 | SO4, NA |
| 4 | 145 | 0.40 | 0.74 | 27 | SO4 |
| 5 | 67 | 0.36 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1333 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3USS · Crystal structure of Cysteine dioxygenase from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I0N5 · AlphaFold monomer V2.0 prediction for 3-mercaptopropionate dioxygenase (Q9I0N5) · 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 Q9I0N5
- Elsewhere: RCSB PDB 3USS · PDBe 3USS · UniProt Q9I0N5
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