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MolNFT v1 · #121256 · protein

Insulin with proline analog hyp at position B28 in the R6 state

5HPU · Insulin, chain a: “Insulin with proline analog hyp at position B28 in the R6 state”. X-ray diffraction, 3 ligands (IPH, ZN, CL). MolNFT v1 #121256 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5HPU
Type
protein
Length
97 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
IPH, ZN, CL

Structure

x-ray diffraction · 3 distinct chains · 71% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CInsulin, chain aprotein2162% helix, 5% strandP01308
BInsulin, chain Bprotein2774% helix, 11% strandP01308
DInsulin, chain Bprotein2875% helix, 11% strandP01308

Ligands and binding sites

  • IPH · Phenol · ligand · 2 copies · chains A, B, C, D
  • 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.

  • B–D · 728 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 582 Ų buried · 1 hydrogen bond · protein-protein
  • C–D · 560 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 51 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 12 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 modified (disulfide, hydroxylation).

Compared structures

  • 5HPU · Insulin with proline analog HyP at position B28 in the R6 state · the same entry in another collection · chain A against A, TM-score 1.00

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