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MolNFT v1 · #30421 · protein

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

252L: “Generating ligand binding sites in T4 lysozyme using deficiency- creating substitutions”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.70). MolNFT v1 #30421 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
252L
Type
protein
Length
164 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
CL
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AT4 lysozyme (EC 3.2.1.17)protein16459% helix, 9% strandP00720

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • HED · 2-hydroxyethyl disulfide · 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
14350.700.8141empty

Compared structures

  • 252L · 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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