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T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl) OXY]BENZENE

Analyse T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl) OXY]BENZENE in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7LOB
Type
protein
Length
162 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme
EC
3.2.1.17
UniProt
D9IEF7
Ligands
ZNV
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme (EC 3.2.1.17)protein16263% helix, 9% strandD9IEF7

Ligands and binding sites

  • ZNV · 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene · ligand · chains A
  • BME · Beta-mercaptoethanol · additive · 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

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12870.550.7631BME, TRS

Compared structures

  • 7LOB · T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene · the same entry in another collection · chain A against A, TM-score 1.00

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