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MolNFT v1 · #185559 · protein

Lysozyme soaked with V(IV)OSO4

7Q0T: “Lysozyme soaked with V(IV)OSO4”. X-ray diffraction, 4 ligands (V, NA, CL), 1 pocket (best druggability 0.32). MolNFT v1 #185559 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7Q0T
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme
EC
3.2.1.17
UniProt
P00698
Ligands
V, NA, CL, O
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme (EC 3.2.1.17)protein12940% helix, 11% strandP00698

Ligands and binding sites

  • V · Vanadium ion · metal · 3 copies · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 4 copies · chains A
  • O · Oxygen atom · ion · 3 copies · chains A
  • GOL · Glycerol · additive · chains A
  • ACT · Acetate ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1570.320.7614ACT

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7Q0T · Lysozyme soaked with V(IV)OSO4 · the same entry in another collection · chain A against A, TM-score 1.00

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