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Crystal structure of zinc free A14E, B25H, B29K(N(EPS)-[2-(2-[2-(2-[2- (octadecandioyl-gamma-GLU)AMINO]ETHOXY)ETHOXY]ACETYLAMINO) ETHOXY]ETHOXY)ACETYL]), DESB27, DESB30 human insulin

Analyse Crystal structure of zinc free A14E, B25H, B29K(N(EPS)-[2-(2-[2-(2-[2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6S4J
Type
protein
Length
49 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin
UniProt
P01308
Ligands
KUT

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInsulinprotein2157% helix, 5% strandP01308
BInsulinprotein2850% helix, 4% strandP01308

Ligands and binding sites

  • KUT · Kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu) amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl] · ligand · chains A, B
  • IMD · Imidazole · additive · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 775 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

  • 6S4J · Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamm… · the same entry in another collection · chain A against A, TM-score 1.00

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