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MolNFT v1 · #36394 · protein

Triclinic cross-linked lysozyme soaked with thiourea 1.5M

2F4A · Lysozyme C: “Triclinic cross-linked lysozyme soaked with thiourea 1.5M”. X-ray diffraction, 2 ligands (TOU, NO3), 1 pocket (best druggability 0.29). MolNFT v1 #36394 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2F4A
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme C
EC
3.2.1.17
UniProt
P00698
Ligands
TOU, NO3
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme C (EC 3.2.1.17)protein12941% helix, 11% strandP00698

Ligands and binding sites

  • TOU · Thiourea · ligand · 3 copies · chains A
  • NO3 · Nitrate ion · ion · 4 copies · 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
1580.290.7413TOU

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 2F4A · Triclinic cross-linked lysozyme soaked with thiourea 1.5M · the same entry in another collection · chain A against A, TM-score 1.00

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