MolNFT v1 · #15865 · protein
An L40C mutation converts the cysteine-sulfenic acid redox centre in enterococcal NADH peroxidase to a disulfide
1NHS: “An L40C mutation converts the cysteine-sulfenic acid redox centre in enterococcal NADH peroxidase to a…”. X-ray diffraction, 2 ligands (FAD, SO4), 2 pockets (best druggability 0.79). MolNFT v1 #15865 on GenesisL1: 3D structure…
- PDB
- 1NHS
- Type
- protein
- Length
- 447 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADH peroxidase
- EC
- 1.11.1.1
- UniProt
- P37062
- Ligands
- FAD, SO4
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADH peroxidase (EC 1.11.1.1) | protein | 447 | 27% helix, 30% strand | P37062 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.79 | 0.80 | 92 | SO4, FAD |
| 2 | 86 | 0.32 | 0.74 | 20 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1NHS · An L40C mutation converts the cysteine-sulfenic acid redox centre in enterococcal NADH… · the same entry in another collection · chain A against A, TM-score 1.00
- P37062 · AlphaFold monomer V2.0 prediction for NADH peroxidase (P37062) · a predicted model of the same protein · 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 P37062
- Elsewhere: RCSB PDB 1NHS · PDBe 1NHS · UniProt P37062
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