MolNFT v1 · #86378 · protein
Crystal structure of the lectin domain of F18 fimbrial adhesin fedf in complex with blood group B type 1 hexasaccharide
4B4R · F18 fimbrial adhesin ac: “Crystal structure of the lectin domain of F18 fimbrial adhesin fedf in complex with blood group B type 1…”. X-ray diffraction, 5 ligands (GAL, GLC, NAG), 1 pocket (best druggability 0.68). MolNFT v1 #86378…
- PDB
- 4B4R
- Type
- protein
- Length
- 283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- F18 fimbrial adhesin ac
- UniProt
- Q47212
- Ligands
- GAL, GLC, NAG, FUC, GLA
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | F18 fimbrial adhesin ac | protein | 142 | 6% helix, 64% strand | Q47212 |
| B | F18 fimbrial adhesin ac | protein | 141 | 6% helix, 64% strand | Q47212 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- GLA · alpha-D-galactopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.68 | 0.93 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 653 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4B4R · Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood… · 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 Q47212
- Elsewhere: RCSB PDB 4B4R · PDBe 4B4R · UniProt Q47212
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