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MolNFT v1 · #136404 · protein

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

5URU · Insulin chain a: “Insulin with proline analog dhp at position B28 in the R6 state”. X-ray diffraction, 3 ligands (IPH, ZN, CL). MolNFT v1 #136404 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5URU
Type
protein
Length
194 residues
Chains
8
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 · 70% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, GInsulin chain aprotein2157% helix, 5% strandP01308
B, HInsulin chain Bprotein2875% helix, 11% strandP01308
D, FInsulin chain Bprotein2774% helix, 11% strandP01308

Ligands and binding sites

  • IPH · Phenol · ligand · 4 copies · chains A, B, C, D, E, F, G, H
  • ZN · Zinc ion · metal · 4 copies · chains B, D, F, H
  • CL · Chloride ion · ion · 4 copies · chains B, D, F, H

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

Interfaces

10 interfaces between chains.

  • B–D · 630 Ų buried · 9 hydrogen bonds · protein-protein
  • F–H · 623 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 568 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 568 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 535 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 4 modified (disulfide, nonstandard).

Compared structures

  • 5URU · Insulin with proline analog DhP 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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