MolNFT v1 · #68627 · protein
Beta-xylosidase, family 43 glycosyl hydrolase from clostridium acetobutylicum
3K1U: “Beta-xylosidase, family 43 glycosyl hydrolase from clostridium acetobutylicum”. X-ray diffraction, 2 ligands (MG, NA), 2 pockets (best druggability 0.70). MolNFT v1 #68627 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3K1U
- Type
- protein
- Length
- 314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-xylosidase, family 43 glycosyl hydrolase
- UniProt
- Q97IW1
- Ligands
- MG, NA
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-xylosidase, family 43 glycosyl hydrolase | protein | 314 | 4% helix, 48% strand | Q97IW1 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.70 | 0.86 | 29 | TRS |
| 2 | 276 | 0.57 | 0.77 | 26 | MG |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 3K1U · Beta-xylosidase, family 43 glycosyl hydrolase from Clostridium acetobutylicum · 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 Q97IW1
- Elsewhere: RCSB PDB 3K1U · PDBe 3K1U · UniProt Q97IW1
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