Chlorine in PDB 3di8: Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A)

All present enzymatic activity of Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A):
3.1.27.5;

The structure of Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A), PDB code: 3di8 was solved by K.Kurpiewska, J.Font, M.Ribo, M.Vilanova, K.Lewinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.119, 64.119, 64.088, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A) (pdb code 3di8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A), PDB code: 3di8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A)


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 Bovine Pancreatic Ribonuclease A Variant (V57A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl125 b:12.9 occ:1.00 CG2 A:THR3 3.1 4.2 1.0 CB A:THR3 4.0 10.5 1.0 N A:ALA6 4.2 7.5 1.0 CB A:ALA6 4.2 7.2 1.0 CB A:ALA5 4.3 11.7 1.0 OG1 A:THR3 4.3 48.5 1.0 CA A:ALA6 4.6 7.3 1.0 C A:ALA5 4.9 7.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A)


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 Bovine Pancreatic Ribonuclease A Variant (V57A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:14.6 occ:1.00 O A:HOH1164 2.9 37.0 1.0 N A:THR45 3.2 7.8 1.0 CE1 A:HIS12 3.5 8.9 1.0 O A:HOH1161 3.5 38.1 1.0 O A:HOH1175 3.6 37.9 1.0 CA A:ASN44 3.7 9.6 1.0 OG1 A:THR45 3.7 11.3 1.0 C A:ASN44 3.9 7.8 1.0 CD1 A:PHE120 3.9 10.4 1.0 CB A:THR45 4.0 7.9 1.0 CA A:THR45 4.2 6.6 1.0 ND1 A:HIS12 4.2 8.8 1.0 CB A:PHE120 4.2 10.4 1.0 O A:VAL43 4.3 12.4 1.0 CG A:PHE120 4.4 10.1 1.0 N A:ASN44 4.4 9.6 1.0 OD1 A:ASN44 4.4 13.2 1.0 NE2 A:HIS12 4.4 9.1 1.0 NZ A:LYS41 4.5 23.1 1.0 O A:HOH1160 4.5 40.6 1.0 O A:PHE120 4.5 14.3 1.0 C A:VAL43 4.6 11.1 1.0 CG1 A:VAL43 4.7 12.7 1.0 CE1 A:PHE120 4.7 11.7 1.0 CG A:ASN44 4.8 10.9 1.0 CB A:ASN44 4.8 9.9 1.0 O A:THR45 4.9 9.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A)


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 Bovine Pancreatic Ribonuclease A Variant (V57A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl127 b:39.9 occ:1.00 O A:HOH1188 3.5 52.4 1.0 O A:HOH1201 3.9 39.5 1.0 CB A:SER16 4.1 16.0 1.0 O A:HOH1184 4.3 42.8 1.0 O A:SER16 4.6 19.3 1.0 OG A:SER16 4.8 31.4 1.0 CA A:SER16 4.9 14.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V57A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl128 b:40.4 occ:1.00 ND2 A:ASN103 2.5 37.6 1.0 O A:HOH1174 2.8 39.7 1.0 NE2 A:GLN101 3.0 12.2 1.0 O A:HOH1116 3.1 51.3 1.0 CG A:ASN103 3.2 28.9 1.0 OD1 A:ASN103 3.3 28.9 1.0 CG A:GLN101 3.6 14.0 1.0 CD A:GLN101 3.8 15.3 1.0 O A:ALA102 3.8 11.8 1.0 C A:ALA102 3.8 14.7 1.0 N A:ASN103 4.2 10.7 1.0 CA A:ALA102 4.2 9.8 1.0 N A:ALA102 4.3 7.2 1.0 CB A:ASN103 4.3 19.7 1.0 O A:HOH1052 4.6 21.7 1.0 CA A:ASN103 4.6 13.8 1.0 OG A:SER80 4.6 9.8 1.0 C A:GLN101 4.7 9.7 1.0 CB A:GLN101 4.9 10.1 1.0

K.Kurpiewska, J.Font, M.Ribo, M.Vilanova, K.Lewinski. X-Ray Crystallographic Studies of Rnase A Variants Engineered at the Most Destabilizing Positions of the Main Hydrophobic Core: Further Insight Into Protein Stability Proteins V. 77 658 2009.
ISSN: ISSN 0887-3585
PubMed: 19544568
DOI: 10.1002/PROT.22480