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Enhancing the therapeutic properties of a protein by a designed zinc- binding site, structural principles of a novel long-acting insulin analog

Analyse Enhancing the therapeutic properties of a protein by a designed zinc- binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KQ6
Type
protein
Length
102 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin a chain; Insulin B chain
UniProt
P01308
Ligands
IPH, ZN, CL

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CInsulin a chainprotein2157% helix, 5% strandP01308
B, DInsulin B chainprotein3047% helix, 10% strandP01308

Ligands and binding sites

  • IPH · Phenol · ligand · chains C, D
  • ZN · Zinc ion · metal · 3 copies · chains A, B, D
  • CL · Chloride ion · ion · 2 copies · chains A, D

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

Interfaces

5 interfaces between chains.

  • A–B · 776 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 659 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 603 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 62 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 28 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3KQ6 · Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site… · the same entry in another collection · chain A against A, TM-score 1.00

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