MolNFT v1 · #110121 · protein
Tailspike protein mutant E372A of E. COLI bacteriophage HK620 in complex with hexasaccharide
4XN3 · Tail spike protein: “Tailspike protein mutant E372A of E. COLI bacteriophage HK620 in complex with hexasaccharide”. X-ray diffraction, 6 ligands (GLC, NDG, GLA), 2 pockets (best druggability 0.60). MolNFT v1 #110121 on GenesisL1: 3D…
- PDB
- 4XN3
- Type
- protein
- Length
- 596 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tail spike protein
- UniProt
- Q9AYY6
- Ligands
- GLC, NDG, GLA, RAM, NAG, NA
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tail spike protein | protein | 596 | 9% helix, 43% strand | Q9AYY6 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- GLA · alpha-D-galactopyranose · sugar · chains A
- RAM · alpha-L-rhamnopyranose · sugar · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- FMT · Formic acid · additive · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.60 | 0.77 | 52 | NDG, GLA, RAM, NAG, GLC |
| 2 | 82 | 0.32 | 0.74 | 17 | empty |
Compared structures
- 4XN3 · Tailspike protein mutant E372A of E. coli bacteriophage HK620 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 Q9AYY6
- Elsewhere: RCSB PDB 4XN3 · PDBe 4XN3 · UniProt Q9AYY6
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