Chlorine in PDB 1q17: Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide

The structure of Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide, PDB code: 1q17 was solved by K.Zhao, X.Chai, R.Marmorstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.88 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	146.159, 109.682, 85.825, 90.00, 104.90, 90.00
R / Rfree (%)	18.6 / 24.7

The structure of Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide (pdb code 1q17). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide, PDB code: 1q17:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:56.5 occ:1.00 NH2 C:ARG240 2.8 0.6 1.0 NE C:ARG240 3.4 98.3 1.0 CZ C:ARG240 3.5 0.7 1.0 NH2 C:ARG204 3.7 78.1 1.0 N C:ARG240 4.2 49.3 1.0 CA C:PRO239 4.2 41.5 1.0 CZ C:ARG204 4.6 82.9 1.0 NE C:ARG204 4.6 80.3 1.0 CB C:PRO239 4.6 37.6 1.0 CD C:ARG240 4.7 81.0 1.0 C C:PRO239 4.7 46.2 1.0 NH1 C:ARG240 4.8 97.8 1.0 CB C:ARG240 5.0 49.8 1.0

Chlorine binding site 2 out of 4 in the Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:48.4 occ:1.00 NE1 B:TRP202 3.6 47.2 1.0 NZ B:LYS26 3.8 50.8 1.0 NZ B:LYS206 4.0 56.9 1.0 CZ2 B:TRP202 4.3 45.9 1.0 CE2 B:TRP202 4.3 46.9 1.0 CG B:LYS26 4.4 48.5 1.0 CE B:LYS206 4.5 54.5 1.0 CE B:LYS26 4.6 60.9 1.0 NZ B:LYS110 4.7 50.6 1.0 CD1 B:TRP202 4.8 47.0 1.0

Chlorine binding site 3 out of 4 in the Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:46.1 occ:1.00 NH2 A:ARG204 2.7 62.3 1.0 NH1 A:ARG240 2.8 88.3 1.0 N A:ARG240 3.8 58.2 1.0 CZ A:ARG240 3.9 88.1 1.0 CZ A:ARG204 3.9 64.0 1.0 CG A:ARG240 4.0 72.6 1.0 CA A:PRO239 4.2 45.3 1.0 NH1 A:ARG204 4.2 63.9 1.0 CB A:ARG240 4.4 62.2 1.0 NH2 A:ARG240 4.5 90.4 1.0 C A:PRO239 4.5 46.9 1.0 NE A:ARG240 4.7 84.0 1.0 CB A:PRO239 4.7 45.7 1.0 CA A:ARG240 4.7 61.0 1.0 CD A:ARG240 4.8 80.2 1.0

Chlorine binding site 4 out of 4 in the Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:43.5 occ:1.00 NH2 B:ARG204 2.9 63.2 1.0 NH2 B:ARG240 3.0 0.1 1.0 NE B:ARG240 3.0 97.0 1.0 CZ B:ARG240 3.4 98.6 1.0 N B:ARG240 3.7 43.5 1.0 CA B:PRO239 4.1 30.4 1.0 CZ B:ARG204 4.2 67.8 1.0 CD B:ARG240 4.2 82.7 1.0 CG B:ARG240 4.3 67.3 1.0 CB B:ARG240 4.3 55.7 1.0 C B:PRO239 4.4 37.8 1.0 CB B:PRO239 4.5 29.8 1.0 CA B:ARG240 4.6 49.1 1.0 NH1 B:ARG240 4.7 97.5 1.0 NE B:ARG204 4.8 62.2 1.0

K.Zhao, X.Chai, R.Marmorstein. Structure of the Yeast HST2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl Adp Ribose and Histone Peptide. Structure V. 11 1403 2003.
ISSN: ISSN 0969-2126
PubMed: 14604530
DOI: 10.1016/J.STR.2003.09.016