Chlorine in PDB 5ipb: Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant, PDB code: 5ipb 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)	34.82 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.791, 46.498, 64.254, 90.00, 94.94, 90.00
R / Rfree (%)	16.4 / 19.3

The binding sites of Chlorine atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant (pdb code 5ipb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant, PDB code: 5ipb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:15.1 occ:1.00 O A:HOH357 3.2 19.4 1.0 O A:HOH328 3.2 10.4 1.0 N A:SER107 3.4 14.9 1.0 ND2 A:ASN99 3.4 13.0 1.0 NE2 A:HIS114 3.5 13.5 1.0 ND2 A:ASN112 3.5 12.1 1.0 OD1 A:ASN112 3.6 14.1 1.0 OG A:SER107 3.6 20.4 1.0 CA A:GLN106 3.7 13.3 1.0 O A:HOH341 3.8 31.0 1.0 CB A:ASN99 3.9 10.1 1.0 CG A:GLN106 4.0 13.0 1.0 CG A:ASN112 4.0 10.8 1.0 C A:GLN106 4.1 17.1 1.0 CG A:ASN99 4.1 11.6 1.0 CB A:GLN106 4.3 15.1 1.0 O A:GLY105 4.4 18.9 1.0 CE1 A:HIS114 4.4 12.2 1.0 N A:VAL108 4.4 14.9 1.0 CD2 A:HIS114 4.4 13.3 1.0 CA A:SER107 4.4 17.0 1.0 O A:HOH372 4.5 29.2 1.0 CB A:SER107 4.5 17.7 1.0 O A:VAL108 4.7 14.4 1.0 N A:GLN106 4.7 13.8 1.0 O A:HOH391 4.8 12.5 1.0 O A:ASN99 4.9 13.8 1.0 C A:GLY105 4.9 16.8 1.0 C A:SER107 4.9 20.2 1.0 CA A:ASN99 5.0 8.1 1.0

Chlorine binding site 2 out of 2 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) H112N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:10.7 occ:1.00 O B:HOH317 3.2 9.0 1.0 N B:SER107 3.3 7.9 1.0 O B:HOH352 3.3 13.0 1.0 ND2 B:ASN99 3.3 12.5 1.0 NE2 B:HIS114 3.5 10.6 1.0 ND2 B:ASN112 3.5 7.4 1.0 OG B:SER107 3.5 16.4 1.0 OD1 B:ASN112 3.6 10.6 1.0 CA B:GLN106 3.7 8.7 1.0 O B:HOH369 3.8 27.1 1.0 CG B:GLN106 4.0 12.3 1.0 CG B:ASN112 4.0 8.3 1.0 CB B:ASN99 4.0 7.6 1.0 C B:GLN106 4.0 13.2 1.0 CG B:ASN99 4.1 12.6 1.0 N B:VAL108 4.2 9.6 1.0 CA B:SER107 4.3 8.4 1.0 CB B:SER107 4.3 12.6 1.0 CB B:GLN106 4.4 10.9 1.0 CE1 B:HIS114 4.4 12.9 1.0 CD2 B:HIS114 4.4 10.9 1.0 O B:GLY105 4.5 11.8 1.0 O B:VAL108 4.6 9.8 1.0 O B:HOH380 4.7 12.5 1.0 O B:HOH382 4.7 29.8 1.0 C B:SER107 4.8 10.3 1.0 N B:GLN106 4.8 8.4 1.0 O B:ASN99 5.0 10.7 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