MolNFT v1 · #164333 · protein
Structure of L320A mutant of REX8A from paenibacillus barcinonensis complexed with xylose.
6SUD · Reducing-end xylose-releasing exo-oligoxylanase REX8A: “Structure of L320A mutant of REX8A from paenibacillus barcinonensis complexed with xylose.”. X-ray diffraction, 1 ligand (XYP), 4 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 6SUD
- Type
- protein
- Length
- 754 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reducing-end xylose-releasing exo-oligoxylanase REX8A
- EC
- 3.2.1.156
- UniProt
- A0A0S2UQQ5
- Ligands
- XYP
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Reducing-end xylose-releasing exo-oligoxylanase REX8A (EC 3.2.1.156) | protein | 377 | 51% helix, 10% strand | A0A0S2UQQ5 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 12 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
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1073 | 0.81 | 0.82 | 106 | XYP, GOL |
| 2 | 56 | 0.74 | 0.99 | 20 | GOL |
| 3 | 51 | 0.73 | 0.99 | 19 | GOL |
| 4 | 204 | 0.46 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 564 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6SUD · Structure of L320A mutant of Rex8A from Paenibacillus barci nsis complexed with xylose. · 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 A0A0S2UQQ5
- Elsewhere: RCSB PDB 6SUD · PDBe 6SUD · UniProt A0A0S2UQQ5
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