MolNFT v1 · #108489 · protein
Crystal structure of the helical domain deleted form msra from clostridium oremlandii
4W8C · Peptide methionine sulfoxide reductase msra: “Crystal structure of the helical domain deleted form msra from clostridium oremlandii”. X-ray diffraction, 1 ligand (GLY), 4 pockets (best druggability 0.74). MolNFT v1 #108489 on…
- PDB
- 4W8C
- Type
- protein
- Length
- 271 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
- GLY
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 134 | 24% helix, 22% strand | A8MI53 |
| B | Peptide methionine sulfoxide reductase msra (EC 1.8.4.11) | protein | 137 | 30% helix, 22% strand | A8MI53 |
Ligands and binding sites
- GLY · Glycine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 466 | 0.74 | 0.83 | 42 | empty |
| 2 | 732 | 0.73 | 0.79 | 49 | empty |
| 3 | 226 | 0.56 | 0.79 | 35 | empty |
| 4 | 91 | 0.47 | 0.81 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 521 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4W8C · Crystal structure of the helical domain deleted form MsrA from Clostridium oremlandii · the same entry in another collection · chain B against B, 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 4W8C · PDBe 4W8C · UniProt A8MI53
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