Research workbench
Structural insights into a bifunctional peptide methionine sulfoxide reductase MSRA/B fusion protein from helicobacter pylori
Analyse Structural insights into a bifunctional peptide methionine sulfoxide reductase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7E43
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide methionine sulfoxide reductase MSRA/MSRB
- EC
- 1.8.4.11, 1.8.4.12
- UniProt
- O25011
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Peptide methionine sulfoxide reductase MSRA/MSRB (EC 1.8.4.11, 1.8.4.12) | protein | 324 | 31% helix, 25% strand | O25011 |
| A | Peptide methionine sulfoxide reductase MSRA/MSRB (EC 1.8.4.11, 1.8.4.12) | protein | 322 | 30% helix, 25% strand | O25011 |
Ligands and binding sites
- ACT · Acetate ion · additive · 4 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.77 | 0.79 | 89 | ACT |
| 2 | 597 | 0.64 | 0.75 | 56 | empty |
| 3 | 111 | 0.43 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- B–A · 717 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7E43 · Structural insights into a bifunctional peptide methionine sulfoxide reductase MsrA/B… · the same entry in another collection · chain B against B, TM-score 1.00
- O25011 · AlphaFold monomer V2.0 prediction for peptide methionine sulfoxide reductase MSRA/MSRB… · a predicted model of the same protein · chain A against A, TM-score 0.93
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 O25011
- Elsewhere: RCSB PDB 7E43 · PDBe 7E43 · UniProt O25011
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.