MolNFT v1 · #126402 · protein
Structure of the alpha-L-arabinofuranosidase ARB93A from fusarium graminearum in complex with an hydroximolactone inhibitor
5M1Z · Exo-1,5-alpha-L-arabinofuranobiosidase: “Structure of the alpha-L-arabinofuranosidase ARB93A from fusarium graminearum in complex with an…”. X-ray diffraction, 4 ligands (6LW, AHR, MN), 2 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 5M1Z
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exo-1,5-alpha-L-arabinofuranobiosidase
- EC
- 3.2.1.55
- UniProt
- B8ZY56
- Ligands
- 6LW, AHR, MN, SO4
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exo-1,5-alpha-L-arabinofuranobiosidase (EC 3.2.1.55) | protein | 359 | 1% helix, 45% strand | B8ZY56 |
Ligands and binding sites
- 6LW · (Z)-L-Arabinonhydroximo-1,4-lactone · ligand · chains A
- AHR · alpha-L-arabinofuranose · sugar · chains A
- MN · Manganese (II) ion · metal · 4 copies · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 440 | 0.69 | 0.80 | 29 | SO4 |
| 2 | 188 | 0.52 | 0.78 | 28 | 6LW, AHR |
Compared structures
- 5M1Z · STRUCTURE OF THE ALPHA-L-ARABINOFURANOSIDASE ARB93A FROM FUSARIUM GRAMINEARUM IN COMPLEX… · 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 B8ZY56
- Elsewhere: RCSB PDB 5M1Z · PDBe 5M1Z · UniProt B8ZY56
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