MolNFT v1 · #139317 · protein
Crystal structure of the complex of an aromatic mutant (W6A) of an alkali thermostable GH10 xylanase from bacillus sp. ng-27 with S-1,2- propanediol
5XC1 · Beta-xylanase: “Crystal structure of the complex of an aromatic mutant (W6A) of an alkali thermostable GH10 xylanase from…”. X-ray diffraction, 2 ligands (MG, NA), 3 pockets (best druggability 0.69). MolNFT v1 #139317 on GenesisL1…
- PDB
- 5XC1
- Type
- protein
- Length
- 708 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
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-xylanase (EC 3.2.1.8) | protein | 354 | 44% helix, 16% strand | O30700 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- PGO · S-1,2-propanediol · additive · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 792 | 0.69 | 0.76 | 83 | empty |
| 2 | 204 | 0.55 | 0.78 | 32 | empty |
| 3 | 161 | 0.39 | 0.72 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 309 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5XC1 · Crystal structure of the complex of an aromatic mutant (W6A) of an alkali thermostable… · 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 5XC1 · PDBe 5XC1 · UniProt O30700
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