Chlorine in PDB 3i7y: High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa)

All present enzymatic activity of High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa):
3.1.27.5;

The structure of High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa), PDB code: 3i7y 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 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.947, 63.947, 63.516, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 24.1

The binding sites of Chlorine atom in the High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa) (pdb code 3i7y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa), PDB code: 3i7y:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the High Pressure Structure of I106A Variant of Rnase A (0.48 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 Variant of Rnase A (0.48 Gpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl125 b:43.9 occ:1.00 O A:HOH132 3.1 24.7 1.0 CB A:ALA6 3.4 1.0 1.0 N A:THR3 3.4 10.0 1.0 CA A:GLU2 3.8 16.6 1.0 O A:HOH136 3.8 29.4 1.0 CG2 A:THR3 3.9 6.3 1.0 OG1 A:THR3 4.0 6.6 1.0 C A:GLU2 4.1 13.8 1.0 CG A:GLU2 4.2 13.0 1.0 O A:LYS1 4.2 27.5 1.0 CB A:THR3 4.3 7.0 1.0 CB A:GLU2 4.4 15.0 1.0 CA A:THR3 4.5 8.4 1.0 N A:GLU2 4.8 21.8 1.0 CA A:ALA6 4.9 2.9 1.0 C A:LYS1 4.9 26.4 1.0 O A:THR3 5.0 6.1 1.0

Chlorine binding site 2 out of 3 in the High Pressure Structure of I106A Variant of Rnase A (0.48 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 Variant of Rnase A (0.48 Gpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:15.7 occ:1.00 N A:THR45 3.1 4.3 1.0 CE1 A:HIS12 3.5 5.8 1.0 CA A:ASN44 3.6 6.1 1.0 C A:ASN44 3.7 5.4 1.0 CB A:THR45 3.8 4.6 1.0 OG1 A:THR45 3.8 8.5 1.0 ND1 A:HIS12 4.0 1.7 1.0 CA A:THR45 4.0 2.8 1.0 O A:PHE120 4.1 15.3 1.0 O A:VAL43 4.2 9.2 1.0 OD1 A:ASN44 4.2 10.2 1.0 CD1 A:PHE120 4.3 10.4 1.0 N A:ASN44 4.4 7.6 1.0 CB A:PHE120 4.4 11.3 1.0 NE2 A:HIS12 4.4 6.3 1.0 C A:VAL43 4.6 8.2 1.0 CG A:PHE120 4.6 10.1 1.0 CG A:ASN44 4.7 7.8 1.0 CB A:ASN44 4.7 7.5 1.0 O A:ASN44 4.8 4.7 1.0 O A:THR45 4.8 1.5 1.0 C A:THR45 5.0 1.8 1.0 CG1 A:VAL43 5.0 5.3 1.0 C A:PHE120 5.0 13.6 1.0

Chlorine binding site 3 out of 3 in the High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High Pressure Structure of I106A Variant of Rnase A (0.48 Gpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl127 b:16.2 occ:1.00 O A:HOH141 3.0 9.6 1.0 ND2 A:ASN34 3.1 16.6 1.0 CD A:ARG10 3.5 3.2 1.0 NE A:ARG10 3.8 4.4 1.0 CB A:ASN34 3.8 15.5 1.0 CG A:ASN34 3.9 15.9 1.0 CZ A:ARG10 4.2 5.3 1.0 NH1 A:ARG10 4.4 6.7 1.0 O A:ARG33 4.7 10.7 1.0 OE2 A:GLU2 4.8 14.6 1.0 CG A:ARG10 5.0 3.0 1.0 NH2 A:ARG10 5.0 5.3 1.0 OD1 A:ASN34 5.0 16.6 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