Chlorine in PDB 9jwd: Crystal Structure of Rnas A Treated with Sodium Cyanide

All present enzymatic activity of Crystal Structure of Rnas A Treated with Sodium Cyanide:
3.1.27.5;

The structure of Crystal Structure of Rnas A Treated with Sodium Cyanide, PDB code: 9jwd was solved by M.S.Ahmad, N.Shah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.71 / 2.22
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.329, 64.329, 64.102, 90, 90, 120
R / Rfree (%)	20.1 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of Rnas A Treated with Sodium Cyanide (pdb code 9jwd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Rnas A Treated with Sodium Cyanide, PDB code: 9jwd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Rnas A Treated with Sodium Cyanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Rnas A Treated with Sodium Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:22.0 occ:1.00 O A:HOH340 2.5 30.0 1.0 ND2 A:ASN34 3.1 18.5 1.0 CD A:ARG10 3.3 8.3 1.0 O A:HOH360 3.3 11.4 1.0 NE A:ARG10 3.7 8.7 1.0 CB A:ASN34 3.7 18.1 1.0 CG A:ASN34 3.8 18.8 1.0 CZ A:ARG10 4.2 9.0 1.0 NH1 A:ARG10 4.3 8.8 1.0 CG A:ARG10 4.6 8.2 1.0 O A:ARG33 4.6 13.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Rnas A Treated with Sodium Cyanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Rnas A Treated with Sodium Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:10.2 occ:1.00 N A:THR45 3.1 7.8 1.0 CE1 A:HIS12 3.4 7.0 1.0 CA A:ASN44 3.5 9.0 1.0 C A:ASN44 3.8 8.4 1.0 OG1 A:THR45 3.8 7.9 1.0 CD2 A:PHE120 4.0 11.4 1.0 CB A:THR45 4.0 7.6 1.0 ND1 A:HIS12 4.1 7.0 1.0 N A:ASN44 4.2 9.2 1.0 CA A:THR45 4.2 7.5 1.0 O A:HOH385 4.2 49.7 1.0 O A:VAL43 4.2 9.4 1.0 OD1 A:ASN44 4.2 9.9 1.0 CB A:PHE120 4.3 12.2 1.0 CG A:PHE120 4.3 11.5 1.0 NE2 A:HIS12 4.4 7.3 1.0 C A:VAL43 4.4 9.8 1.0 CG1 A:VAL43 4.6 10.2 1.0 CG A:ASN44 4.6 9.3 1.0 CB A:ASN44 4.6 9.1 1.0 O A:PHE120 4.7 14.2 1.0 O A:THR45 4.7 6.8 1.0 CE2 A:PHE120 4.7 11.3 1.0 O A:ASN44 4.9 9.2 1.0 NZ A:LYS41 4.9 13.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Rnas A Treated with Sodium Cyanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Rnas A Treated with Sodium Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:14.8 occ:1.00 OG1 A:THR3 3.2 11.7 1.0 O A:HOH317 3.3 10.9 1.0 CG2 A:THR3 4.0 12.6 1.0 CB A:THR3 4.0 12.1 1.0 CB A:ALA5 4.2 9.4 1.0 CB A:ALA6 4.2 9.2 1.0 N A:ALA6 4.2 8.9 1.0 O A:HOH399 4.3 15.2 1.0 CA A:ALA6 4.6 9.0 1.0 O A:HOH358 4.8 10.2 1.0 C A:ALA5 4.9 9.1 1.0 O A:HOH318 4.9 9.2 1.0

N.Shah, Z.Akbar, M.S.Ahmad. Cyanide Mediated Conformational Changes Resulted in the Displacement of Sulfate Ion From the Active Site of Bovine Pancreatic Ribonuclease A. Biochem.Biophys.Res.Commun. V. 736 50868 2024.
ISSN: ESSN 1090-2104
PubMed: 39490154
DOI: 10.1016/J.BBRC.2024.150868