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The crystal structure of the D73A mutant of glycoside hydrolase (family 31) from ruminococcus obeum atcc 29174
Analyse The crystal structure of the D73A mutant of glycoside hydrolase (family 31)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3M46
- Type
- protein
- Length
- 1,303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A5ZY13
- Pockets
- 14 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 652 | 28% helix, 28% strand | A5ZY13 |
| B | Uncharacterized protein | protein | 651 | 28% helix, 27% strand | A5ZY13 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.88 | 0.91 | 74 | empty |
| 2 | 594 | 0.71 | 0.79 | 68 | empty |
| 3 | 571 | 0.71 | 0.79 | 62 | empty |
| 4 | 511 | 0.69 | 0.79 | 59 | empty |
| 5 | 196 | 0.58 | 0.81 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 2498 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 3M46 · The crystal structure of the D73A mutant of glycoside HYDROLASE (FAMILY 31) from… · 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 A5ZY13
- Elsewhere: RCSB PDB 3M46 · PDBe 3M46 · UniProt A5ZY13
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