Chlorine in PDB 4ao1: High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid

All present enzymatic activity of High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid:
3.1.27.5;

The structure of High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid, PDB code: 4ao1 was solved by A.Mukhopadhyay, A.L.Carvalho, M.Kowacz, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.43 / 1.58
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.006, 64.006, 63.616, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 19.6

The binding sites of Chlorine atom in the High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid (pdb code 4ao1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid, PDB code: 4ao1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1125 b:11.4 occ:1.00 O A:HOH2178 3.1 23.3 1.0 N A:THR45 3.3 3.7 1.0 CE1 A:HIS12 3.4 6.3 1.0 CA A:ASN44 3.6 4.6 1.0 O A:HOH2098 3.7 28.2 1.0 OG1 A:THR45 3.7 10.2 1.0 C A:ASN44 3.8 4.0 1.0 CD1 A:PHE120 3.9 10.0 1.0 CB A:THR45 4.0 4.5 1.0 O A:HOH2035 4.0 26.6 1.0 ND1 A:HIS12 4.1 4.7 1.0 CA A:THR45 4.2 3.3 1.0 OD1 A:ASN44 4.3 7.7 1.0 CB A:PHE120 4.3 7.2 1.0 O A:VAL43 4.3 7.5 1.0 N A:ASN44 4.3 4.5 1.0 CG A:PHE120 4.4 7.0 1.0 NE2 A:HIS12 4.4 6.4 1.0 NZ A:LYS41 4.4 16.5 1.0 C A:VAL43 4.6 6.8 1.0 O A:PHE120 4.6 9.8 1.0 CE1 A:PHE120 4.7 8.2 1.0 CG1 A:VAL43 4.7 9.4 1.0 O A:HOH2177 4.7 31.1 1.0 CB A:ASN44 4.8 5.9 1.0 CG A:ASN44 4.8 5.8 1.0 O A:THR45 4.9 4.2 1.0 O A:ASN44 5.0 4.9 1.0

Chlorine binding site 2 out of 2 in the High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Crystal Structure of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1127 b:9.8 occ:1.00 O A:HOH2085 3.1 31.9 1.0 OD1 A:ASN34 3.2 18.7 1.0 CD A:ARG10 3.4 5.5 1.0 NE A:ARG10 3.9 5.1 1.0 CB A:ASN34 4.0 9.9 1.0 CG A:ASN34 4.0 13.4 1.0 O A:HOH2011 4.1 29.1 1.0 CZ A:ARG10 4.3 6.2 1.0 NH1 A:ARG10 4.5 7.7 1.0 O A:ARG33 4.8 6.3 1.0 CG A:ARG10 4.9 5.7 1.0

M.Kowacz, A.Mukhopadhyay, A.L.Carvalho, J.M.S.S.Esperanca, M.J.Romao, L.P.N.Rebelo. Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions Cryst.Eng.Comm. V. 14 4912 2012.
ISSN: ISSN 1466-8033
DOI: 10.1039/C2CE25129A