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MolNFT v1 · #14950 · protein

X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben and phenol

1MPJ · Phenol insulin: “X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents…”. X-ray diffraction, 3 ligands (IPH, ZN, CL). MolNFT v1 #14950 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1MPJ
Type
protein
Length
100 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phenol insulin
UniProt
P01315
Ligands
IPH, ZN, CL

Structure

x-ray diffraction · 3 distinct chains · 59% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CPhenol insulinprotein2167% helix, 5% strandP01315
BPhenol insulinprotein2868% helix, 11% strandP01315
DPhenol insulinprotein3047% helix, 10% strandP01315

Ligands and binding sites

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

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

Interfaces

5 interfaces between chains.

  • C–D · 833 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 674 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 581 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 71 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 31 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1MPJ · X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing… · the same entry in another collection · chain A against A, TM-score 1.00

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