MolNFT v1 · #111637 · protein
Mercuric reductase from metallosphaera sedula
4YWO: “Mercuric reductase from metallosphaera sedula”. X-ray diffraction, 1 ligand (FAD), 4 pockets (best druggability 0.77). MolNFT v1 #111637 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4YWO
- Type
- protein
- Length
- 444 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mercuric reductase
- UniProt
- A4YG49
- Ligands
- FAD
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mercuric reductase | protein | 444 | 36% helix, 25% strand | A4YG49 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- GOL · Glycerol · additive · 5 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1156 | 0.77 | 0.79 | 112 | FAD, GOL |
| 2 | 70 | 0.47 | 0.83 | 16 | GOL |
| 3 | 95 | 0.39 | 0.77 | 15 | GOL |
| 4 | 94 | 0.37 | 0.75 | 18 | GOL |
Modifications
Observed in the structure: 1 cofactor (flavinylation).
Compared structures
- 4YWO · Mercuric reductase from Metallosphaera sedula · 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 A4YG49
- Elsewhere: RCSB PDB 4YWO · PDBe 4YWO · UniProt A4YG49
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