MolNFT v1 · #147052 · protein
Crystal structure of the colanidase tailspike protein GP150 of phage PHI92 complexed with one repeating unit of colanic acid
6E0W · Bacteriophage PHI92 GP150: “Crystal structure of the colanidase tailspike protein GP150 of phage PHI92 complexed with one repeating unit…”. X-ray diffraction, 7 ligands (HLA, FUC, BGC), 6 pockets (best druggability 0.57). MolNFT v1…
- PDB
- 6E0W
- Type
- protein
- Length
- 1,204 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriophage PHI92 GP150
- UniProt
- I7I026
- Ligands
- HLA, FUC, BGC, GLA, BDP, MG, SO4
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bacteriophage PHI92 GP150 | protein | 602 | 6% helix, 47% strand | I7I026 |
Ligands and binding sites
- HLA · 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol · ligand · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GLA · alpha-D-galactopyranose · sugar · 2 copies · chains A, B
- BDP · beta-D-glucopyranuronic acid · sugar · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains B
- PG4 · Tetraethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 352 | 0.57 | 0.76 | 39 | empty |
| 2 | 372 | 0.57 | 0.75 | 45 | empty |
| 3 | 153 | 0.42 | 0.74 | 25 | BGC, FUC, SO4 |
| 4 | 146 | 0.38 | 0.73 | 26 | BGC, FUC, SO4 |
| 5 | 96 | 0.33 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 186 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6E0W · Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed 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 I7I026
- Elsewhere: RCSB PDB 6E0W · PDBe 6E0W · UniProt I7I026
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