Research workbench
Crystal structure of methionine sulfoxide reductase U16S from clostridium oremlandii
Analyse Crystal structure of methionine sulfoxide reductase U16S from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LWK
- Type
- protein
- Length
- 410 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
- A8MI53
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 205 | 48% helix, 19% strand | A8MI53 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.43 | 0.74 | 27 | empty |
| 2 | 58 | 0.34 | 0.77 | 15 | empty |
| 3 | 57 | 0.33 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 290 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4LWK · Crystal structure of methionine sulfoxide reductase U16S from clostridium oremlandii · 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 A8MI53
- Elsewhere: RCSB PDB 4LWK · PDBe 4LWK · UniProt A8MI53
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