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MolNFT v1 · #114998 · protein

Crystal structure of gadolinium derivative of hewl solved using free- electron laser radiation

5C6J · Lysozyme C: “Crystal structure of gadolinium derivative of hewl solved using free- electron laser radiation”. X-ray diffraction, 3 ligands (DO3, GD, CL), 1 pocket (best druggability 0.30). MolNFT v1 #114998 on GenesisL1: 3D…

PDB
5C6J
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
DO3, GD, CL
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme C (EC 3.2.1.17)protein12940% helix, 11% strandP00698

Ligands and binding sites

  • DO3 · 10-((2R)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid · ligand · 2 copies · chains A
  • GD · Gadolinium atom · metal · 2 copies
  • CL · Chloride ion · ion · 4 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
1570.300.7513empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5C6J · Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser… · the same entry in another collection · chain A against A, TM-score 1.00

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