MolNFT v1 · #101956 · protein
Crystal structure of ascorbate-bound cytochrome B561, crystal soaked in 1 M L-ascorbate for 10 minutes
4O79 · Probable transmembrane ascorbate ferrireductase 2: “Crystal structure of ascorbate-bound cytochrome B561, crystal soaked in 1 M L-ascorbate for 10 minutes”. X-ray diffraction, 3 ligands (HEM, ASC, SO4), 5 pockets (best druggability…
- PDB
- 4O79
- Type
- protein
- Length
- 421 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable transmembrane ascorbate ferrireductase 2
- EC
- 1.16.5.1
- UniProt
- Q9SWS1
- Ligands
- HEM, ASC, SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable transmembrane ascorbate ferrireductase 2 (EC 1.16.5.1) | protein | 210 | 82% helix, 0% strand | Q9SWS1 |
| B | Probable transmembrane ascorbate ferrireductase 2 (EC 1.16.5.1) | protein | 211 | 81% helix, 0% strand | Q9SWS1 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B
- ASC · Ascorbic acid · ligand · chains B
- SO4 · Sulfate 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 358 | 0.79 | 0.88 | 49 | HEM |
| 2 | 320 | 0.78 | 0.88 | 44 | HEM |
| 3 | 643 | 0.73 | 0.79 | 44 | empty |
| 4 | 212 | 0.69 | 0.86 | 28 | HEM |
| 5 | 209 | 0.67 | 0.85 | 27 | HEM |
Interfaces
1 interface between chains.
- A–B · 1388 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4O79 · Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SWS1 · AlphaFold monomer V2.0 prediction for probable transmembrane ascorbate ferrireductase 2… · a predicted model of the same protein · chain B 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 Q9SWS1
- Elsewhere: RCSB PDB 4O79 · PDBe 4O79 · UniProt Q9SWS1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.