MolNFT v1 · #71972 · protein
Enzyme-substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
3MUI: “Enzyme-substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.”. X-ray diffraction, 2 ligands (XYP, NA), 3 pockets (best druggability 0.65). MolNFT v1 #71972 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3MUI
- Type
- protein
- Length
- 658 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylanase
- EC
- 3.2.1.8
- UniProt
- Q3YBZ9
- Ligands
- XYP, NA
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xylanase (EC 3.2.1.8) | protein | 330 | 40% helix, 19% strand | Q3YBZ9 |
| B | Xylanase (EC 3.2.1.8) | protein | 328 | 40% helix, 19% strand | Q3YBZ9 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 6 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.65 | 0.81 | 44 | XYP, GOL |
| 2 | 290 | 0.63 | 0.80 | 36 | XYP |
| 3 | 278 | 0.54 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 582 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3MUI · Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G.… · 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 Q3YBZ9
- Elsewhere: RCSB PDB 3MUI · PDBe 3MUI · UniProt Q3YBZ9
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