MolNFT v1 · #74284 · protein
Crystal structure of a galactose mutarotase-like protein (CA_C0697) from clostridium acetobutylicum at 1.80 a resolution
3OS7: “Crystal structure of a galactose mutarotase-like protein (CA_C0697) from clostridium acetobutylicum at 1.80 a…”. X-ray diffraction, 16 pockets (best druggability 0.67). MolNFT v1 #74284 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3OS7
- Type
- protein
- Length
- 1,352 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactose mutarotase-like protein
- UniProt
- Q97L65
- Pockets
- 16 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Galactose mutarotase-like protein | protein | 338 | 10% helix, 49% strand | Q97L65 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 19 copies · chains A, B, C, D
- PG4 · Tetraethylene glycol · additive · 7 copies · chains A, B, C, D
- TLA · L(+)-tartaric acid · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.67 | 0.88 | 23 | PG4 |
| 2 | 145 | 0.66 | 0.87 | 28 | PG4 |
| 3 | 124 | 0.66 | 0.88 | 22 | PG4 |
| 4 | 160 | 0.65 | 0.85 | 32 | PG4 |
| 5 | 346 | 0.55 | 0.75 | 36 | EDO |
Interfaces
3 interfaces between chains.
- B–D · 305 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 262 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 148 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3OS7 · Crystal structure of a galactose mutarotase-like protein (CA_C0697) from CLOSTRIDIUM… · 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 Q97L65
- Elsewhere: RCSB PDB 3OS7 · PDBe 3OS7 · UniProt Q97L65
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