› 4ly9

X-ray diffraction
2.35Å resolution

Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate

Released:
DOI: 10.2210/pdb4ly9/pdb
PDB entry 4ly9 coloured by chain, front view.
PDB entry 4ly9 coloured by chain, side view.
PDB entry 4ly9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Lloyd DJ, St Jean DJ, Kurzeja RJ, Wahl RC, Michelsen K, Cupples R, Chen M, Wu J, Sivits G, Helmering J, Komorowski R, Ashton KS, Pennington LD, Fotsch C, Vazir M, Chen K, Chmait S, Zhang J, Liu L, Norman MH, Andrews KL, Bartberger MD, Van G, Galbreath EJ, Vonderfecht SL, Wang M, Jordan SR, Véniant MM, Hale C
Nature 504 437-40 (2013)
PMID: 24226772

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171997 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glucokinase regulatory protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 637 amino acids
Theoretical weight: 70.25 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q14397 (Residues: 1-625; Coverage: 100%)
Gene name: GCKR
Sequence domains: C-terminal lid domain of glucokinase regulatory protein
Structure domains: Glucose-6-phosphate isomerase like protein; domain 1

Ligands and Environments

5 bound ligands:
Ligand IOD 26 x IOD
Ligand S6P 2 x S6P
Ligand 1YY 2 x 1YY
Ligand GOL 2 x GOL
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ DW
Spacegroup: P65
Unit cell:
a: 148.869Å b: 148.869Å c: 132.397Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.217 0.214 0.27
Expression system: Spodoptera frugiperda

Quick links

Citations

23 review citations

Targeting hepatic glucose metabolism in the treatment of type 2 diabetes.
Rines et al. (2016)
22 more

1 mention without citation

Investigation of candidate genes and mechanisms underlying obesity associated type 2 diabetes mellitus using bioinformatics analysis and screening of small drug molecules.
Prashanth et al. (2021)