› 5km6

X-ray diffraction
1.6Å resolution

Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside phosphoramidate substrate complex

Released:
DOI: 10.2210/pdb5km6/pdb
PDB entry 5km6 coloured by chain, front view.
PDB entry 5km6 coloured by chain, side view.
PDB entry 5km6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Maize KM, Shah R, Strom A, Kumarapperuma S, Zhou A, Wagner CR, Finzel BC
Mol Pharm 14 3987-3997 (2017)
PMID: 28968488

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 Chain: A
Molecule details ›
Chain: A
Length: 129 amino acids
Theoretical weight: 14.07 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

1 bound ligand:
Ligand 6US 1 x 6US
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P43212
Unit cell:
a: 40.163Å b: 40.163Å c: 144.239Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.172 0.191
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Prodrugs of Nucleoside 5'-Monophosphate Analogues: Overview of the Recent Literature Concerning their Synthesis and Applications.
Roy et al. (2023)
1 more