MolNFT v1 · #107297 · protein
Induced dimer structure of methionine sulfoxide reductase U16C from clostridium oremlandii
4U66 · Peptide methionine sulfoxide reductase msra: “Induced dimer structure of methionine sulfoxide reductase U16C from clostridium oremlandii”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.70). MolNFT v1 #107297 on…
- PDB
- 4U66
- Type
- protein
- Length
- 611 residues
- Chains
- 3
- 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
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 204 | 44% helix, 19% strand | A8MI53 |
| C | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 203 | 44% helix, 18% strand | A8MI53 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 508 | 0.70 | 0.80 | 55 | empty |
| 2 | 67 | 0.58 | 0.89 | 17 | empty |
| 3 | 71 | 0.56 | 0.88 | 18 | empty |
| 4 | 247 | 0.50 | 0.75 | 34 | empty |
| 5 | 83 | 0.34 | 0.74 | 13 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1209 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 296 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4U66 · Induced Dimer Structure of Methionine Sulfoxide Reductase U16C 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 4U66 · PDBe 4U66 · UniProt A8MI53
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