MolNFT v1 · #86183 · protein
Structure of the GH47 processing alpha-1,2-mannosidase from caulobacter strain K31 in complex with mannoimidazole
4AYQ · Mannosyl-oligosaccharide 1,2-alpha-mannosidase: “Structure of the GH47 processing alpha-1,2-mannosidase from caulobacter strain K31 in complex with…”. X-ray diffraction, 3 ligands (MVL, CA, NA), 3 pockets (best druggability 0.71).…
- PDB
- 4AYQ
- Type
- protein
- Length
- 434 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannosyl-oligosaccharide 1,2-alpha-mannosidase
- EC
- 3.2.1.113
- UniProt
- B0SWV2
- Ligands
- MVL, CA, NA
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannosyl-oligosaccharide 1,2-alpha-mannosidase (EC 3.2.1.113) | protein | 434 | 51% helix, 13% strand | B0SWV2 |
Ligands and binding sites
- MVL · (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.71 | 0.99 | 19 | empty |
| 2 | 241 | 0.59 | 0.80 | 35 | CA, MVL |
| 3 | 106 | 0.51 | 0.82 | 23 | CA |
Compared structures
- 4AYQ · Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in… · 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 B0SWV2
- Elsewhere: RCSB PDB 4AYQ · PDBe 4AYQ · UniProt B0SWV2
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