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MolNFT v1 · #128187 · protein

The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1

5NJ1 · Lysozyme C: “The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1”. X-ray diffraction, 3 ligands (A6R, NA, NO3), 1 pocket (best druggability 0.35). MolNFT v1 #128187 on…

PDB
5NJ1
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
A6R, NA, NO3
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme C (EC 3.2.1.17)protein12941% helix, 12% strandP00698

Ligands and binding sites

  • A6R · arsenoplatin-1 · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • NO3 · Nitrate ion · ion · 5 copies · chains A
  • EDO · 1,2-ethanediol · additive · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.350.7616EDO, NO3

Modifications

Observed in the structure: 4 disulfide, 2 modified (disulfide, acetylation).

Compared structures

  • 5NJ1 · The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme… · the same entry in another collection · chain A against A, TM-score 1.00

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