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Generating ligand binding sites in T4 lysozyme using deficiency- creating substitutions

Analyse Generating ligand binding sites in T4 lysozyme using deficiency- creating… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
225L
Type
protein
Length
162 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
T4 lysozyme
EC
3.2.1.17
UniProt
P00720
Ligands
PXY
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AT4 lysozyme (EC 3.2.1.17)protein16265% helix, 9% strandP00720

Ligands and binding sites

  • PXY · Para-xylene · ligand · chains A
  • BME · Beta-mercaptoethanol · additive · 2 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.700.9816PXY
22450.510.7529empty

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 225L · Generating ligand binding sites in T4 lysozyme using deficiency-creating substitutions · the same entry in another collection · chain A against A, TM-score 1.00

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