MolNFT v1 · #177719 · protein
GH43 domain of bifunctional endoxylanase and arabinofuranosidase of BI0569
7ERL · Beta-xylanase: “GH43 domain of bifunctional endoxylanase and arabinofuranosidase of BI0569”. X-ray diffraction, 14 pockets (best druggability 0.74). MolNFT v1 #177719 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7ERL
- Type
- protein
- Length
- 1,088 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-xylanase
- EC
- 3.2.1.8
- UniProt
- A0A6N2X8R5
- Pockets
- 14 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-xylanase (EC 3.2.1.8) | protein | 545 | 4% helix, 45% strand | A0A6N2X8R5 |
| B | Beta-xylanase (EC 3.2.1.8) | protein | 543 | 3% helix, 45% strand | A0A6N2X8R5 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 4 copies · chains A, 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.74 | 0.77 | 84 | MES |
| 2 | 265 | 0.67 | 0.83 | 30 | empty |
| 3 | 529 | 0.65 | 0.76 | 45 | MES |
| 4 | 265 | 0.63 | 0.81 | 28 | empty |
| 5 | 150 | 0.57 | 0.82 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1033 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 7ERL · GH43 domain of bifunctional endoxylanase and arabinofuranosidase of Bi0569 · 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 A0A6N2X8R5
- Elsewhere: RCSB PDB 7ERL · PDBe 7ERL · UniProt A0A6N2X8R5
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