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TitleCaught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Journal, issue, pagesBiochemistry, Vol. 56, Page 3559-3570, Year 2017
Publish dateMar 9, 2016 (structure data deposition date)
AuthorsShah, R. / Maize, K.M. / Zhou, X. / Finzel, B.C. / Wagner, C.R.
External linksBiochemistry / PubMed:28691797
MethodsX-ray diffraction
Resolution1.3 - 1.75 Å
Structure data

PDB-5ipb:
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-5ipc:
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside thiophosphoramidate substrate complex
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5ipd:
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate covalent intermediate complex
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5ipe:
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-6CE:
5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-6CG:
5'-S-phosphono-5'-thioguanosine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / HINT / histidine triad / HIT

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