MolNFT v1 · #139274 · protein
Crystal structure of phaeospaeria nodrum fructosyl peptide oxidase mutant ASN56ALA in complexes with sodium and chloride ions
5XAO · Uncharacterized protein: “Crystal structure of phaeospaeria nodrum fructosyl peptide oxidase mutant ASN56ALA in complexes with sodium…”. X-ray diffraction, 3 ligands (FAD, NA, CL), 8 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 5XAO
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q0UIL6
- Ligands
- FAD, NA, CL
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Uncharacterized protein | protein | 431 | 31% helix, 26% strand | Q0UIL6 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, C
- NA · Sodium ion · metal · 4 copies · chains A, C
- CL · Chloride ion · ion · 5 copies · chains A, C
- ACY · Acetic acid · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.81 | 0.82 | 104 | FAD, ACY |
| 2 | 1141 | 0.80 | 0.82 | 103 | FAD, ACY |
| 3 | 97 | 0.69 | 0.92 | 21 | empty |
| 4 | 608 | 0.67 | 0.76 | 60 | empty |
| 5 | 65 | 0.50 | 0.85 | 21 | empty |
Interfaces
1 interface between chains.
- A–C · 338 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (flavinylation).
Compared structures
- 5XAO · Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala in… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q0UIL6
- Elsewhere: RCSB PDB 5XAO · PDBe 5XAO · UniProt Q0UIL6
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