Chlorine in PDB 6n3y: Human Histidine Triad Nucleotide Binding Protein 1 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine, PDB code: 6n3y was solved by A.M.Strom, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.42 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.161, 46.327, 63.896, 90.00, 94.32, 90.00
R / Rfree (%)	20.5 / 24.8

The binding sites of Chlorine atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine (pdb code 6n3y). 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 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine, PDB code: 6n3y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Histidine Triad Nucleotide Binding Protein 1 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine


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 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:25.3 occ:1.00 NE2 B:HIS112 2.9 16.4 1.0 ND2 B:ASN99 3.2 14.6 1.0 N B:SER107 3.2 12.9 0.6 N B:SER107 3.2 12.9 0.4 OG B:SER107 3.3 25.2 0.6 NE2 B:HIS114 3.3 17.5 1.0 CE1 B:HIS112 3.4 22.7 1.0 O B:HOH318 3.4 12.1 1.0 CA B:GLN106 3.6 10.1 1.0 CB B:ASN99 3.7 7.3 1.0 O B:GLY105 3.8 11.9 1.0 C B:GLN106 3.9 11.6 1.0 CG B:ASN99 3.9 11.7 1.0 CD2 B:HIS112 4.0 20.4 1.0 CB B:SER107 4.1 17.4 0.6 CB B:SER107 4.1 17.4 0.4 CA B:SER107 4.2 13.2 0.6 CA B:SER107 4.2 13.2 0.4 CG B:GLN106 4.2 16.9 1.0 CE1 B:HIS114 4.3 15.6 1.0 CD2 B:HIS114 4.3 19.4 1.0 CB B:GLN106 4.4 15.3 1.0 N B:GLN106 4.5 9.2 1.0 OG B:SER107 4.5 24.7 0.4 C B:GLY105 4.5 20.2 1.0 ND1 B:HIS112 4.6 22.4 1.0 N B:VAL108 4.6 11.8 1.0 CG B:HIS112 4.9 23.8 1.0 CA B:ASN99 4.9 11.0 1.0 C B:SER107 5.0 26.7 0.6 C B:SER107 5.0 26.5 0.4 N B:ASN99 5.0 7.7 1.0

Chlorine binding site 2 out of 2 in the Human Histidine Triad Nucleotide Binding Protein 1 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine


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 (HINT1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:36.8 occ:1.00 OG1 B:THR17 2.5 16.2 1.0 ND1 B:HIS110 2.8 20.1 1.0 ND1 B:HIS59 3.2 66.4 1.0 CB B:THR17 3.4 21.6 1.0 CE1 B:HIS59 3.4 50.2 1.0 CG2 B:THR17 3.4 20.3 1.0 N B:THR17 3.5 16.9 1.0 N B:GLY20 3.7 12.9 1.0 CG B:HIS110 3.7 10.7 1.0 CB B:HIS110 3.8 12.9 1.0 CE1 B:HIS110 3.8 34.5 1.0 CA B:GLY20 3.9 9.8 1.0 CA B:THR17 4.0 13.7 1.0 CG B:HIS59 4.2 51.4 1.0 O B:THR17 4.4 15.5 1.0 NE2 B:HIS59 4.4 51.4 1.0 C B:THR17 4.5 23.7 1.0 C B:PHE19 4.6 17.7 1.0 CD2 B:HIS59 4.8 57.2 1.0 CB B:HIS59 4.8 32.0 1.0 O B:TYR109 4.9 11.6 1.0 CB B:PHE19 4.9 18.6 1.0 CD2 B:HIS110 4.9 30.2 1.0 CA B:HIS110 4.9 11.9 1.0 NE2 B:HIS110 4.9 12.4 1.0

R.M.Shah, C.Peterson, A.Strom, M.Dillenburg, B.Finzel, K.F.Kitto, C.Fairbanks, G.Wilcox, C.R.Wagner. Inhibition of HINT1 Modulates Spinal Nociception and Nmda Evoked Behavior in Mice. Acs Chem Neurosci V. 10 4385 2019.
ISSN: ESSN 1948-7193
PubMed: 31503445
DOI: 10.1021/ACSCHEMNEURO.9B00432