Chlorine in PDB 5ipc: Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant Nucleoside Thiophosphoramidate Substrate Complex

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant Nucleoside Thiophosphoramidate Substrate Complex, PDB code: 5ipc 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)	33.19 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.943, 46.504, 63.916, 90.00, 94.72, 90.00
R / Rfree (%)	15.2 / 17

The binding sites of Chlorine atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant Nucleoside Thiophosphoramidate Substrate Complex (pdb code 5ipc). 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) H112N Mutant Nucleoside Thiophosphoramidate Substrate Complex, PDB code: 5ipc:

Chlorine binding site 1 out of 1 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant Nucleoside Thiophosphoramidate Substrate 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) H112N Mutant Nucleoside Thiophosphoramidate Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:9.9 occ:1.00 O B:HOH329 3.2 9.1 1.0 N B:SER107 3.3 9.2 1.0 O B:HOH350 3.3 12.2 1.0 ND2 B:ASN99 3.3 12.2 1.0 ND2 B:ASN112 3.5 8.5 1.0 NE2 B:HIS114 3.5 9.8 1.0 OG B:SER107 3.5 15.4 1.0 OD1 B:ASN112 3.6 11.6 1.0 CA B:GLN106 3.7 8.6 1.0 CB B:ASN99 3.9 8.2 1.0 CG B:ASN112 3.9 8.8 1.0 CG B:GLN106 4.0 10.6 1.0 O B:HOH368 4.0 29.3 1.0 C B:GLN106 4.0 10.4 1.0 CG B:ASN99 4.1 9.4 1.0 N B:VAL108 4.2 9.8 1.0 CA B:SER107 4.3 8.8 1.0 CB B:SER107 4.4 11.6 1.0 CB B:GLN106 4.4 9.3 1.0 CE1 B:HIS114 4.4 10.6 1.0 CD2 B:HIS114 4.4 10.7 1.0 O B:GLY105 4.5 11.0 1.0 O B:VAL108 4.6 9.0 1.0 O B:HOH380 4.7 10.8 1.0 C B:SER107 4.8 10.1 1.0 N B:GLN106 4.8 8.6 1.0 O B:ASN99 4.9 9.5 1.0 N B:ASN99 5.0 8.4 1.0 CA B:ASN99 5.0 7.9 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