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C3 symmetric peptide design number 1, sporty, crystal form 2

Analyse C3 symmetric peptide design number 1, sporty, crystal form 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UG6
Type
protein
Length
48 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C3-1, sporty, crystal form 2
Ligands
NA, PO4, SO4

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DC3-1, sporty, crystal form 2protein120% helix, 0% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, C
  • PO4 · Phosphate ion · ion · 2 copies · chains B, C, D
  • SO4 · Sulfate ion · ion · chains B
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · 8 copies · chains A, B, C, D
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

  • B–C · 19 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 d-amino (D-amino acid).

Compared structures

  • 6UG6 · C3 symmetric peptide design number 1, Sporty, crystal form 2 · the same entry in another collection · chain A against A, TM-score 1.00

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