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The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and complex I, a pentacoordinate Pt(II) compound containing 2,9-dimethyl-1,10-phenanthroline, dimethylfumarate, methyl and iodine as ligands

Analyse The X-ray structure of the adduct formed in the reaction between hen egg white… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6QEA
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.96
Source
Gallus gallus
Molecule
Lysozyme C
EC
3.2.1.17
UniProt
P00698
Ligands
J9H, NO3
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · resolution 1.96 · 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

  • J9H · pentacoordinate Pt(II) compound · ligand · chains A
  • NO3 · Nitrate ion · ion · 5 copies · chains A
  • DMS · Dimethyl sulfoxide · 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
1700.330.7515DMS

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6QEA · 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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