› 5i2e

X-ray diffraction
1.6Å resolution

Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine

Released:
DOI: 10.2210/pdb5i2e/pdb
PDB entry 5i2e coloured by chain, front view.
PDB entry 5i2e coloured by chain, side view.
PDB entry 5i2e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Shah R, Strom A, Zhou A, Maize KM, Finzel BC, Wagner CR
ACS Med Chem Lett 7 780-4 (2016)
PMID: 27563403

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156024 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine 5'-monophosphoramidase HINT1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 129 amino acids
Theoretical weight: 14.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49773 (Residues: 1-126; Coverage: 100%)
Gene names: HINT, HINT1, PKCI1, PRKCNH1
Sequence domains: HIT domain
Structure domains: HIT-like

Ligands and Environments

2 bound ligands:
Ligand 67D 1 x 67D
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 76.767Å b: 46.345Å c: 63.932Å
α: 90° β: 94.73° γ: 90°
R-values:
R R work R free
0.178 0.177 0.199
Expression system: Escherichia coli

Quick links

Citations

1 review citation

The Many Faces of Histidine Triad Nucleotide Binding Protein 1 (HINT1).
Dillenburg et al. (2023)
3 other articles

2 mentions without citation

Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Shah et al. (2016)
1 more