MolNFT v1 · #175534 · protein
Staphylococcus aureus msrb
7CTO · Peptide methionine sulfoxide reductase msrb: “Staphylococcus aureus msrb”. X-ray diffraction, 9 pockets (best druggability 0.81). MolNFT v1 #175534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CTO
- Type
- protein
- Length
- 816 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide methionine sulfoxide reductase msrb
- EC
- 1.8.4.12
- UniProt
- W8TTH3
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 15% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12) | protein | 134 | 14% helix, 25% strand | W8TTH3 |
| B | Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12) | protein | 139 | 21% helix, 29% strand | W8TTH3 |
| C | Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12) | protein | 136 | 11% helix, 31% strand | W8TTH3 |
| D | Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12) | protein | 136 | 17% helix, 28% strand | W8TTH3 |
| E | Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12) | protein | 136 | 14% helix, 25% strand | W8TTH3 |
| F | Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12) | protein | 135 | 12% helix, 29% strand | W8TTH3 |
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1145 | 0.81 | 0.82 | 158 | empty |
| 2 | 125 | 0.47 | 0.78 | 19 | empty |
| 3 | 50 | 0.35 | 0.79 | 15 | empty |
| 4 | 60 | 0.35 | 0.78 | 14 | empty |
| 5 | 80 | 0.34 | 0.75 | 16 | empty |
Interfaces
12 interfaces between chains.
- A–E · 610 Ų buried · 0 hydrogen bonds · protein-protein
- B–E · 562 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 547 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 543 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 532 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7CTO · Staphylococcus aureus MsrB · 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 W8TTH3
- Elsewhere: RCSB PDB 7CTO · PDBe 7CTO · UniProt W8TTH3
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