Research workbench
Crystal structure of msra variant C198C206 from escherichia COLI, oxidized
Analyse Crystal structure of msra variant C198C206 from escherichia COLI, oxidized in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OT4
- Type
- protein
- Length
- 405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide methionine sulfoxide reductase msra
- EC
- 1.8.4.11
- UniProt
- J7RCD1
- Ligands
- K
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 202 | 26% helix, 17% strand | J7RCD1 |
| B | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 203 | 25% helix, 17% strand | J7RCD1 |
Ligands and binding sites
- K · Potassium ion · metal · chains B
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 | 339 | 0.55 | 0.74 | 30 | empty |
| 2 | 198 | 0.53 | 0.78 | 25 | empty |
| 3 | 172 | 0.45 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 449 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7OT4 · Crystal structure of MsrA variant C198C206 from Escherichia coli, oxidized · 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 J7RCD1
- Elsewhere: RCSB PDB 7OT4 · PDBe 7OT4 · UniProt J7RCD1
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