› 3q6e

X-ray diffraction
2.05Å resolution

Human insulin in complex with cucurbit[7]uril

Released:
DOI: 10.2210/pdb3q6e/pdb
PDB entry 3q6e coloured by chain, front view.
PDB entry 3q6e coloured by chain, side view.
PDB entry 3q6e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular recognition of insulin by a synthetic receptor.
Chinai JM, Taylor AB, Ryno LM, Hargreaves ND, Morris CA, Hart PJ, Urbach AR
J Am Chem Soc 133 8810-3 (2011)
PMID: 21473587

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134182 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Insulin A chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 21 amino acids
Theoretical weight: 2.38 KDa
Source organism: Homo sapiens
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: P01308 (Residues: 90-110; Coverage: 24%)
Gene name: INS
Insulin B chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 30 amino acids
Theoretical weight: 3.43 KDa
Source organism: Homo sapiens
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: P01308 (Residues: 25-54; Coverage: 35%)
Gene name: INS
Sequence domains: Insulin/IGF/Relaxin family

Ligands and Environments

1 bound ligand:
Ligand QQ7 1 x QQ7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: I4132
Unit cell:
a: 116.534Å b: 116.534Å c: 116.534Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.206 0.253
Expression system: Saccharomyces cerevisiae

Quick links

Citations

14 review citations

Drug delivery by supramolecular design.
Webber et al. (2017)
13 more

6 mentions without citation

Atomic Details of Carbon-Based Nanomolecules Interacting with Proteins.
Di Costanzo et al. (2020)
5 more