MolNFT v1 · #101906 · protein
Crystal structure of alkylhydroperoxide reductase subunit F from E. COLI at 2.65 ang resolution
4O5U · Alkyl hydroperoxide reductase subunit F: “Crystal structure of alkylhydroperoxide reductase subunit F from E. COLI at 2.65 ang resolution”. X-ray diffraction, 3 ligands (FAD, CD, SO4), 4 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 4O5U
- Type
- protein
- Length
- 521 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyl hydroperoxide reductase subunit F
- EC
- 1.8.1.-
- UniProt
- P35340
- Ligands
- FAD, CD, SO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkyl hydroperoxide reductase subunit F (EC 1.8.1.-) | protein | 521 | 32% helix, 26% strand | P35340 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- CD · Cadmium ion · metal · chains A
- SO4 · Sulfate ion · ion · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 550 | 0.77 | 0.84 | 59 | FAD |
| 2 | 347 | 0.61 | 0.77 | 45 | SO4 |
| 3 | 69 | 0.35 | 0.76 | 16 | empty |
| 4 | 59 | 0.31 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4O5U · Crystal structure of Alkylhydroperoxide Reductase subunit F from E. coli at 2.65 Ang… · the same entry in another collection · chain A against A, TM-score 1.00
- P35340 · AlphaFold monomer V2.0 prediction for alkyl hydroperoxide reductase subunit F (P35340) · a predicted model of the same protein · chain A against A, TM-score 0.64
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 P35340
- Elsewhere: RCSB PDB 4O5U · PDBe 4O5U · UniProt P35340
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