Chlorine in PDB 3dh6: Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A)

All present enzymatic activity of Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A):
3.1.27.5;

The structure of Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A), PDB code: 3dh6 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)	6.00 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.147, 64.147, 63.863, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 26

The binding sites of Chlorine atom in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A) (pdb code 3dh6). 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 (V47A), PDB code: 3dh6:
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 (V47A)


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 (V47A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl125 b:33.4 occ:1.00 O A:HOH1035 3.0 14.7 1.0 NE2 A:HIS12 3.1 8.7 1.0 O A:HOH1145 3.2 39.2 1.0 N A:PHE120 3.4 5.8 1.0 O A:HOH1160 3.5 42.6 1.0 CA A:HIS119 3.7 10.0 1.0 OE1 A:GLN11 4.0 13.8 1.0 CD2 A:HIS119 4.0 18.9 1.0 CE1 A:HIS12 4.0 6.0 1.0 CD2 A:HIS12 4.0 8.0 1.0 C A:HIS119 4.1 10.1 1.0 CB A:HIS119 4.1 16.0 1.0 O A:HOH1118 4.2 33.4 1.0 O A:PHE120 4.4 13.4 1.0 O A:VAL118 4.4 10.4 1.0 CA A:PHE120 4.4 8.6 1.0 CG A:HIS119 4.4 18.8 1.0 CB A:PHE120 4.5 10.7 1.0 C A:PHE120 4.8 13.6 1.0 N A:HIS119 4.9 6.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A)


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 (V47A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:9.8 occ:1.00 OG1 A:THR3 3.1 8.6 1.0 O A:HOH1101 3.2 12.2 1.0 O A:HOH1007 3.2 7.8 1.0 CB A:ALA5 3.9 5.9 1.0 N A:ALA6 4.1 4.9 1.0 CB A:THR3 4.1 7.9 1.0 CB A:ALA6 4.2 5.3 1.0 O A:HOH1100 4.3 9.1 1.0 CG2 A:THR3 4.6 11.6 1.0 CA A:ALA6 4.7 4.8 1.0 C A:ALA5 4.7 6.9 1.0 CA A:ALA5 4.8 5.6 1.0 O A:HOH1129 5.0 8.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A)


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 (V47A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl127 b:13.0 occ:1.00 O A:HOH1166 3.0 34.5 1.0 O A:HOH1145 3.2 39.2 1.0 N A:THR45 3.3 5.7 1.0 CE1 A:HIS12 3.4 6.0 1.0 OG1 A:THR45 3.4 12.3 1.0 CA A:ASN44 3.6 7.5 1.0 O A:HOH1141 3.8 46.4 1.0 C A:ASN44 3.8 7.5 1.0 CB A:THR45 3.9 8.3 1.0 ND1 A:HIS12 3.9 5.0 1.0 CD1 A:PHE120 4.0 12.8 1.0 O A:VAL43 4.0 10.0 1.0 CA A:THR45 4.1 5.4 1.0 N A:ASN44 4.3 6.5 1.0 CB A:PHE120 4.3 10.7 1.0 O A:PHE120 4.3 13.4 1.0 OD1 A:ASN44 4.4 9.8 1.0 C A:VAL43 4.4 12.0 1.0 NE2 A:HIS12 4.4 8.7 1.0 CG A:PHE120 4.5 11.7 1.0 CG1 A:VAL43 4.6 12.5 1.0 CB A:ASN44 4.8 5.6 1.0 CE1 A:PHE120 4.8 14.8 1.0 CG A:ASN44 4.8 10.3 1.0 NZ A:LYS41 4.8 23.1 1.0 O A:THR45 4.9 8.5 1.0 O A:ASN44 4.9 7.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Bovine Pancreatic Ribonuclease A Variant (V47A)


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 (V47A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl128 b:37.6 occ:1.00 O A:HOH1129 2.8 8.1 1.0 NE2 A:GLN55 3.4 6.8 1.0 CG1 A:VAL116 3.9 9.4 1.0 CG A:PRO114 3.9 18.8 1.0 CD A:GLN55 4.2 8.6 1.0 O A:HOH1100 4.4 9.1 1.0 OE1 A:GLN55 4.5 9.3 1.0 O A:HOH1003 4.6 7.4 1.0 CB A:PRO114 4.8 12.0 1.0 O A:HOH1055 5.0 27.8 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