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MolNFT v1 · #30144 · protein

Crystal structure of spin labeled T4 lysozyme (V131R1F)

1ZUR: “Crystal structure of spin labeled T4 lysozyme (V131R1F)”. X-ray diffraction, 2 ligands (R1F, CL), 1 pocket (best druggability 0.51). MolNFT v1 #30144 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1ZUR
Type
protein
Length
164 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme
EC
3.2.1.17
UniProt
P00720
Ligands
R1F, CL
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme (EC 3.2.1.17)protein16464% helix, 8% strandP00720

Ligands and binding sites

  • R1F · S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate · ligand · chains A
  • CL · Chloride ion · ion · 4 copies · 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
12110.510.7627CL

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 1ZUR · Crystal structure of spin labeled T4 Lysozyme (V131R1F) · the same entry in another collection · chain A against A, TM-score 1.00

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