Chlorine in PDB 3i7x: High Pressure Structure of I106A Rnase A Variant (0.35 Gpa)

All present enzymatic activity of High Pressure Structure of I106A Rnase A Variant (0.35 Gpa):
3.1.27.5;

The structure of High Pressure Structure of I106A Rnase A Variant (0.35 Gpa), PDB code: 3i7x was solved by K.Lewinski, K.Kurpiewska, K.Dziubek, A.Katrusiak, J.Font, M.Ribo, M.Vilanova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.340, 64.340, 63.633, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 24.1

The binding sites of Chlorine atom in the High Pressure Structure of I106A Rnase A Variant (0.35 Gpa) (pdb code 3i7x). 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 Pressure Structure of I106A Rnase A Variant (0.35 Gpa), PDB code: 3i7x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High Pressure Structure of I106A Rnase A Variant (0.35 Gpa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Pressure Structure of I106A Rnase A Variant (0.35 Gpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl125 b:29.7 occ:1.00 N A:THR45 3.0 12.2 1.0 CE1 A:HIS12 3.3 11.3 1.0 O A:HOH166 3.5 31.6 1.0 CA A:ASN44 3.6 13.9 1.0 OG1 A:THR45 3.6 15.2 1.0 CB A:THR45 3.6 12.4 1.0 C A:ASN44 3.6 13.6 1.0 CA A:THR45 3.9 11.2 1.0 ND1 A:HIS12 3.9 8.2 1.0 CD1 A:PHE120 4.0 22.8 1.0 OD1 A:ASN44 4.1 14.8 1.0 NE2 A:HIS12 4.2 12.2 1.0 CB A:PHE120 4.2 20.2 1.0 CG A:PHE120 4.3 21.4 1.0 O A:PHE120 4.3 22.2 1.0 N A:ASN44 4.4 13.9 1.0 O A:VAL43 4.4 16.4 1.0 CG A:ASN44 4.6 14.2 1.0 O A:THR45 4.7 10.5 1.0 CB A:ASN44 4.7 14.2 1.0 O A:ASN44 4.7 15.0 1.0 C A:VAL43 4.7 14.5 1.0 CE1 A:PHE120 4.8 23.9 1.0 C A:THR45 4.8 10.4 1.0

Chlorine binding site 2 out of 2 in the High Pressure Structure of I106A Rnase A Variant (0.35 Gpa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Pressure Structure of I106A Rnase A Variant (0.35 Gpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:23.5 occ:1.00 O A:HOH153 4.5 25.3 1.0

K.Kurpiewska, K.Dziubek, A.Katrusiak, J.Font, M.Ribo, M.Vilanova, K.Lewinski. Structural Investigation of Ribonuclease A Conformational Preferences Using High Pressure Protein Crystallography Chem.Phys. V. 468 53 2016.
ISSN: ISSN 0301-0104
DOI: 10.1016/J.CHEMPHYS.2016.01.010