Chlorine in PDB 5ipe: Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Nucleoside Thiophosphoramidate Catalytic Product Complex

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Nucleoside Thiophosphoramidate Catalytic Product Complex, PDB code: 5ipe was solved by K.M.Maize, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.82 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.270, 46.311, 63.963, 90.00, 94.72, 90.00
R / Rfree (%)	15.9 / 18.1

The binding sites of Chlorine atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Nucleoside Thiophosphoramidate Catalytic Product Complex (pdb code 5ipe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Nucleoside Thiophosphoramidate Catalytic Product Complex, PDB code: 5ipe:

Chlorine binding site 1 out of 1 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Nucleoside Thiophosphoramidate Catalytic Product Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Nucleoside Thiophosphoramidate Catalytic Product Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:22.6 occ:1.00 NE2 B:HIS112 2.8 11.8 1.0 ND2 B:ASN99 3.0 10.5 1.0 N B:SER107 3.1 7.4 1.0 OG B:SER107 3.2 16.4 1.0 O B:HOH388 3.3 26.5 1.0 NE2 B:HIS114 3.3 11.4 1.0 CE1 B:HIS112 3.5 10.2 1.0 CA B:GLN106 3.6 6.5 1.0 O B:GLY105 3.6 9.5 1.0 CB B:ASN99 3.8 6.0 1.0 C B:GLN106 3.8 9.4 1.0 O B:HOH325 3.8 7.5 1.0 CB B:SER107 3.8 9.5 1.0 CG B:ASN99 3.9 8.4 1.0 CD2 B:HIS112 3.9 10.8 1.0 CA B:SER107 4.1 6.8 1.0 CE1 B:HIS114 4.1 10.4 1.0 C B:GLY105 4.4 8.8 1.0 CD2 B:HIS114 4.4 11.4 1.0 N B:GLN106 4.4 6.4 1.0 CG B:GLN106 4.5 6.5 1.0 CB B:GLN106 4.6 7.9 1.0 N B:VAL108 4.7 10.1 1.0 ND1 B:HIS112 4.7 8.5 1.0 CG B:HIS112 4.9 7.5 1.0 C B:SER107 4.9 10.2 1.0

R.Shah, K.M.Maize, X.Zhou, B.C.Finzel, C.R.Wagner. Caught Before Released: Structural Mapping of the Reaction Trajectory For the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1). Biochemistry V. 56 3559 2017.
ISSN: ISSN 1520-4995
PubMed: 28691797
DOI: 10.1021/ACS.BIOCHEM.7B00148