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Crystal structure of the tail sheath protein protease resistant fragment from bacteriophage phikz

Analyse Crystal structure of the tail sheath protein protease resistant fragment from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SPE
Type
protein
Length
506 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PHIKZ029
UniProt
Q8SDD3
Ligands
PO4
Pockets
4 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APHIKZ029protein25219% helix, 32% strandQ8SDD3
BPHIKZ029protein25418% helix, 33% strandQ8SDD3

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A
  • GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.380.7919empty
2610.360.7818empty
3590.320.7615PO4
4590.290.7415empty

Interfaces

1 interface between chains.

  • A–B · 1202 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 3SPE · Crystal structure of the tail sheath protein protease resistant fragment from… · the same entry in another collection · chain A against A, TM-score 1.00

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