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Adduct formed after 1 month in the reaction of DICHLORIDO(1,3- dimethylbenzimidaz ol-2-YLIDENE)(ETA5-pentamethylcyclopentadienyl) RHODIUM(III) with hewl

Analyse Adduct formed after 1 month in the reaction of DICHLORIDO(1,3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PL9
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
B8YK79
Ligands
ORS, R1N, NA
Pockets
1 · best druggability 0.33

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme (EC 3.2.1.17)protein12941% helix, 11% strandB8YK79

Ligands and binding sites

  • ORS · dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium · ligand · chains A
  • R1N · 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole · ligand · chains A
  • NA · Sodium ion · metal · 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
1510.330.7812empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6PL9 · Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz… · the same entry in another collection · chain A against A, TM-score 1.00

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