Research workbench
Structure of E70A mutant of REX8A from paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
Analyse Structure of E70A mutant of REX8A from paenibacillus barcinonensis complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TRH
- Type
- protein
- Length
- 1,526 residues
- Chains
- 4
- 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, AHR
- Pockets
- 12 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reducing-end xylose-releasing exo-oligoxylanase REX8A (EC 3.2.1.156) | protein | 381 | 50% helix, 9% strand | A0A0S2UQQ5 |
| B, D | Reducing-end xylose-releasing exo-oligoxylanase REX8A (EC 3.2.1.156) | protein | 380 | 49% helix, 9% strand | A0A0S2UQQ5 |
| C | Reducing-end xylose-releasing exo-oligoxylanase REX8A (EC 3.2.1.156) | protein | 385 | 49% helix, 9% strand | A0A0S2UQQ5 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 16 copies · chains A, B, C, D
- AHR · alpha-L-arabinofuranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.73 | 0.99 | 20 | empty |
| 2 | 53 | 0.73 | 0.99 | 21 | empty |
| 3 | 55 | 0.72 | 0.99 | 21 | empty |
| 4 | 856 | 0.70 | 0.76 | 64 | XYP, AHR |
| 5 | 306 | 0.65 | 0.81 | 38 | XYP |
Interfaces
4 interfaces between chains.
- C–D · 550 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 534 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 197 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 120 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6TRH · Structure of E70A mutant of Rex8A from Paenibacillus barci nsis complexed with… · 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 6TRH · PDBe 6TRH · UniProt A0A0S2UQQ5
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