Chlorine in PDB 1c8w: THR45GLY Variant of Ribonuclease A

The structure of THR45GLY Variant of Ribonuclease A, PDB code: 1c8w was solved by B.R.Kelemen, R.T.Sweeney, L.W.Schultz, R.T.Raines, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.320, 64.320, 64.840, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the THR45GLY Variant of Ribonuclease A (pdb code 1c8w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the THR45GLY Variant of Ribonuclease A, PDB code: 1c8w:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the THR45GLY Variant of Ribonuclease A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of THR45GLY Variant of Ribonuclease A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl125 b:6.5 occ:1.00 ND2 A:ASN34 3.2 22.4 1.0 O A:HOH182 3.2 29.2 1.0 CD A:ARG10 3.4 14.3 1.0 NE A:ARG10 3.8 17.5 1.0 CG A:ASN34 4.1 30.8 1.0 CB A:ASN34 4.1 21.3 1.0 CZ A:ARG10 4.2 16.5 1.0 NH1 A:ARG10 4.4 15.7 1.0 O A:ARG33 4.7 19.3 1.0 CG A:ARG10 4.9 11.8 1.0

Chlorine binding site 2 out of 3 in the THR45GLY Variant of Ribonuclease A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of THR45GLY Variant of Ribonuclease A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:14.0 occ:1.00 O A:HOH173 2.8 58.5 1.0 N A:GLY45 3.2 11.4 1.0 CE1 A:HIS12 3.5 16.1 1.0 CA A:ASN44 3.7 13.4 1.0 C A:ASN44 3.9 12.8 1.0 CD1 A:PHE120 3.9 29.7 1.0 ND1 A:HIS12 4.1 14.1 1.0 CA A:GLY45 4.2 10.0 1.0 NE2 A:HIS12 4.4 15.3 1.0 O A:VAL43 4.4 18.9 1.0 CB A:PHE120 4.5 44.5 1.0 N A:ASN44 4.5 18.5 1.0 OD1 A:ASN44 4.5 20.5 1.0 CH3 A:ACT155 4.6 33.6 1.0 CG A:PHE120 4.7 22.8 1.0 O A:GLY45 4.7 19.1 1.0 C A:VAL43 4.7 22.8 1.0 CE1 A:PHE120 4.8 25.4 1.0 CG A:ASN44 4.9 21.9 1.0 CB A:ASN44 4.9 14.1 1.0 CG1 A:VAL43 4.9 21.4 1.0 O A:PHE120 5.0 40.2 0.5 C A:GLY45 5.0 14.3 1.0 O A:HOH243 5.0 78.5 1.0

Chlorine binding site 3 out of 3 in the THR45GLY Variant of Ribonuclease A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of THR45GLY Variant of Ribonuclease A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl127 b:12.1 occ:1.00 OG1 A:THR3 3.0 16.9 1.0 O A:HOH174 3.8 35.9 1.0 CB A:THR3 3.9 18.8 1.0 CB A:ALA5 4.0 12.5 1.0 CG2 A:THR3 4.1 19.4 1.0 N A:ALA6 4.2 15.8 1.0 CB A:ALA6 4.5 10.5 1.0 O A:HOH159 4.8 24.1 1.0 CA A:ALA6 4.8 13.4 1.0 O A:HOH186 4.8 25.1 1.0 C A:ALA5 4.8 18.4 1.0 CA A:ALA5 4.9 11.0 1.0

B.R.Kelemen, L.W.Schultz, R.Y.Sweeney, R.T.Raines. Excavating An Active Site: the Nucleobase Specificity of Ribonuclease A. Biochemistry V. 39 14487 2000.
ISSN: ISSN 0006-2960
PubMed: 11087402
DOI: 10.1021/BI001862F