MolNFT v1 · #114355 · protein
Structure of AXE2-W215I, an acetyl xylan esterase from geobacillus stearothermophilus
5BN1: “Structure of AXE2-W215I, an acetyl xylan esterase from geobacillus stearothermophilus”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.44). MolNFT v1 #114355 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5BN1
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl xylan esterase
- UniProt
- Q09LX1
- Ligands
- CL
- Pockets
- 5 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acetyl xylan esterase | protein | 218 | 50% helix, 11% strand | Q09LX1 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- IMD · Imidazole · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.44 | 0.78 | 21 | IMD |
| 2 | 120 | 0.43 | 0.77 | 20 | IMD |
| 3 | 96 | 0.42 | 0.78 | 19 | empty |
| 4 | 100 | 0.42 | 0.77 | 17 | empty |
| 5 | 99 | 0.35 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1304 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5BN1 · Structure of Axe2-W215I, an acetyl xylan esterase from Geobacillus stearothermophilus · 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 B against A, TM-score 0.98
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 5BN1 · PDBe 5BN1 · UniProt Q09LX1
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