› 5km5

X-ray diffraction
2.1Å resolution

Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product complex

Released:
DOI: 10.2210/pdb5km5/pdb
PDB entry 5km5 coloured by chain, front view.
PDB entry 5km5 coloured by chain, side view.
PDB entry 5km5 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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189782 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine 5'-monophosphoramidase HINT2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 142 amino acids
Theoretical weight: 15.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BX68 (Residues: 26-163; Coverage: 85%)
Gene name: HINT2
Sequence domains: HIT domain
Structure domains: HIT-like

Ligands and Environments

3 bound ligands:
Ligand CL 1 x CL
Ligand PG4 1 x PG4
Ligand TR5 1 x TR5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 38.129Å b: 76.045Å c: 77.821Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.171 0.224
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

1 mention without citation

Crystal Structure of Histidine Triad Nucleotide-Binding Protein from the Pathogenic Fungus Candida albicans.
Jung et al. (2019)