MolNFT v1 · #117676 · protein
Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase from bacillus sp. ng-27
5EFF · Beta-xylanase: “Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase from bacillus sp. ng-27”. X-ray diffraction, 3 ligands (MG, NA, CL), 3 pockets (best druggability 0.74). MolNFT v1 #117676 on…
- PDB
- 5EFF
- Type
- protein
- Length
- 707 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-xylanase
- EC
- 3.2.1.8
- UniProt
- O30700
- Ligands
- MG, NA, CL
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-xylanase (EC 3.2.1.8) | protein | 354 | 43% helix, 18% strand | O30700 |
| B | Beta-xylanase (EC 3.2.1.8) | protein | 353 | 43% helix, 17% strand | O30700 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains 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 | 1007 | 0.74 | 0.77 | 77 | empty |
| 2 | 396 | 0.57 | 0.75 | 48 | empty |
| 3 | 230 | 0.51 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 678 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5EFF · Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase… · 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 O30700
- Elsewhere: RCSB PDB 5EFF · PDBe 5EFF · UniProt O30700
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