MolNFT v1 · #96419 · protein
Crystal structure of a catalytic mutant of AXE2 (AXE2-D191A), an acetylxylan esterase from geobacillus stearothermophilus
4JJ4 · Acetyl xylan esterase: “Crystal structure of a catalytic mutant of AXE2 (AXE2-D191A), an acetylxylan esterase from geobacillus…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.68). MolNFT v1 #96419 on GenesisL1…
- PDB
- 4JJ4
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl xylan esterase
- UniProt
- Q09LX1
- Ligands
- CL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acetyl xylan esterase | protein | 219 | 49% helix, 12% strand | Q09LX1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.68 | 0.78 | 72 | GOL |
| 2 | 118 | 0.44 | 0.77 | 22 | empty |
| 3 | 141 | 0.43 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1364 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4JJ4 · Crystal structure of a catalytic mutant of Axe2 (Axe2-D191A), an acetylxylan esterase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q09LX1 · AlphaFold monomer V2.0 prediction for acetylxylan esterase (Q09LX1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q09LX1
- Elsewhere: RCSB PDB 4JJ4 · PDBe 4JJ4 · UniProt Q09LX1
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