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MolNFT v1 · #144256 · protein

Adducts formed after 1 month in the reaction of DICHLORIDO(1,3- dimethylbenzimidazol-2-YLIDENE)(ETA6-P-CYMENE)RUTHENIUM(II) with hewl

6BO2 · Lysozyme C: “Adducts formed after 1 month in the reaction of DICHLORIDO(1,3…”. X-ray diffraction, 4 ligands (E3D, NA, RU), 1 pocket (best druggability 0.29). MolNFT v1 #144256 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6BO2
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
E3D, NA, RU, CL
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

  • E3D · Dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl) ruthenium · ligand · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • RU · Ruthenium ion · metal · chains A
  • CL · Chloride ion · ion · 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
1600.290.7414RU, CL

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6BO2 · Adducts formed after 1 month in the reaction of… · the same entry in another collection · chain A against A, TM-score 1.00

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