MolNFT v1 · #84863 · protein
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo-xylanase and exo-arabinofuranosidase activity
3ZXJ · HIAXHD3: “Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme…”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.70). MolNFT v1 #84863 on GenesisL1: 3D…
- PDB
- 3ZXJ
- Type
- protein
- Length
- 1,061 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIAXHD3
- EC
- 3.2.1.55
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIAXHD3 (EC 3.2.1.55) | protein | 532 | 3% helix, 47% strand | — |
| B | HIAXHD3 (EC 3.2.1.55) | protein | 529 | 4% helix, 48% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 731 | 0.70 | 0.77 | 68 | BTB |
| 2 | 330 | 0.58 | 0.76 | 41 | empty |
| 3 | 221 | 0.58 | 0.79 | 23 | empty |
| 4 | 207 | 0.57 | 0.79 | 23 | empty |
| 5 | 157 | 0.52 | 0.79 | 21 | BTB |
Interfaces
1 interface between chains.
- A–B · 620 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3ZXJ · Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically… · 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
- Elsewhere: RCSB PDB 3ZXJ · PDBe 3ZXJ
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