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

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant Adenosine Nucleoside Phosphoramidate Substrate Complex, PDB code: 5kly 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)	63.84 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.865, 46.502, 64.063, 90.00, 94.80, 90.00
R / Rfree (%)	14.9 / 17.1

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

Chlorine binding site 1 out of 1 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant Adenosine Nucleoside Phosphoramidate 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 Adenosine Nucleoside Phosphoramidate Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:4.4 occ:1.00 O B:HOH324 3.2 4.3 1.0 N B:SER107 3.3 4.1 1.0 ND2 B:ASN99 3.3 5.9 1.0 O B:HOH372 3.3 6.2 1.0 ND2 B:ASN112 3.5 3.5 1.0 NE2 B:HIS114 3.5 5.1 1.0 OD1 B:ASN112 3.6 5.3 1.0 OG B:SER107 3.6 7.6 1.0 CA B:GLN106 3.7 3.8 1.0 CB B:ASN99 3.9 4.1 1.0 CG B:GLN106 3.9 4.8 1.0 CG B:ASN112 3.9 4.4 1.0 C B:GLN106 4.0 5.4 1.0 CG B:ASN99 4.1 4.6 1.0 O B:HOH356 4.2 13.8 1.0 N B:VAL108 4.2 4.6 1.0 CA B:SER107 4.3 4.8 1.0 CB B:GLN106 4.3 4.0 1.0 CE1 B:HIS114 4.4 4.6 1.0 CB B:SER107 4.4 6.4 1.0 CD2 B:HIS114 4.4 5.9 1.0 O B:GLY105 4.5 5.2 1.0 O B:VAL108 4.6 4.3 1.0 O B:HOH389 4.7 16.6 1.0 O B:HOH406 4.7 5.8 1.0 C B:SER107 4.8 5.2 1.0 N B:GLN106 4.8 3.9 1.0 O B:ASN99 4.9 5.4 1.0 N B:ASN99 5.0 3.6 1.0 CA B:ASN99 5.0 3.6 1.0

K.M.Maize, R.Shah, A.Strom, S.Kumarapperuma, A.Zhou, C.R.Wagner, B.C.Finzel. A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Activated Protides. Mol. Pharm. V. 14 3987 2017.
ISSN: ISSN 1543-8392
PubMed: 28968488
DOI: 10.1021/ACS.MOLPHARMACEUT.7B00664