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MolNFT v1 · #20985 · protein

Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues

1RWE: “Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues”. X-ray diffraction, 3 ligands (IPH, ZN, CL). MolNFT v1 #20985 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1RWE
Type
protein
Length
102 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin
UniProt
P01308
Ligands
IPH, ZN, CL

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CInsulinprotein2157% helix, 5% strandP01308
B, DInsulinprotein3047% helix, 10% strandP01308

Ligands and binding sites

  • IPH · Phenol · ligand · chains 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.

  • A–B · 799 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 650 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 613 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 62 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 37 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1RWE · Enhancing the activity of insulin at receptor edge: crystal structure and… · the same entry in another collection · chain B against B, TM-score 1.00

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