Research workbench
Crystal structure of an N-acetylgalactosamine deacetylase from F. plautii in complex with blood group B trisaccharide
Analyse Crystal structure of an N-acetylgalactosamine deacetylase from F. plautii in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6N1B
- Type
- protein
- Length
- 385 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbohydrate-binding protein
- UniProt
- A0A1C7FP65
- Ligands
- GAL, FUC, GLA, CA
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbohydrate-binding protein | protein | 385 | 5% helix, 45% strand | A0A1C7FP65 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · chains A
- FUC · alpha-L-fucopyranose · sugar · chains A
- GLA · alpha-D-galactopyranose · sugar · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- GOL · Glycerol · additive · 3 copies · 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 | 322 | 0.63 | 0.79 | 41 | CA, GOL |
| 2 | 260 | 0.59 | 0.79 | 33 | GAL, FUC, GLA, CA |
Compared structures
- 6N1B · Crystal structure of an N-acetylgalactosamine deacetylase from F. plautii in complex with… · 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 A0A1C7FP65
- Elsewhere: RCSB PDB 6N1B · PDBe 6N1B · UniProt A0A1C7FP65
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