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MolNFT v1 · #159911 · protein

Structure of gadolinium-caged cobalt (III) insulin hexamer

6P4Z · Insulin chain a: “Structure of gadolinium-caged cobalt (III) insulin hexamer”. X-ray diffraction, 3 ligands (CO, GD, CL). MolNFT v1 #159911 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6P4Z
Type
protein
Length
98 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin chain a; Insulin chain B
UniProt
P01308
Ligands
CO, GD, CL

Structure

x-ray diffraction · 3 distinct chains · 55% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CInsulin chain aprotein2167% helix, 10% strandP01308
BInsulin chain Bprotein3047% helix, 13% strandP01308
DInsulin chain Bprotein2654% helix, 12% strandP01308

Ligands and binding sites

  • CO · Cobalt (II) ion · metal · 2 copies · chains B, D
  • GD · Gadolinium atom · metal · chains B
  • CL · Chloride ion · ion · chains B, D

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

Interfaces

5 interfaces between chains.

  • A–B · 877 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 732 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 606 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 56 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 45 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 6P4Z · Structure of gadolinium-caged cobalt (III) insulin hexamer · the same entry in another collection · chain A against A, TM-score 1.00

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