Chlorine in PDB 2e3w: X-Ray Structure of Native Rnase A

All present enzymatic activity of X-Ray Structure of Native Rnase A:
3.1.27.5;

The structure of X-Ray Structure of Native Rnase A, PDB code: 2e3w was solved by D.J.Boerema, V.A.Tereshko, S.B.H.Kent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.167, 64.167, 63.626, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 20.8

The binding sites of Chlorine atom in the X-Ray Structure of Native Rnase A (pdb code 2e3w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Native Rnase A, PDB code: 2e3w:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Native Rnase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Native Rnase A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.6 occ:1.00 O A:HOH290 3.1 24.1 1.0 N A:THR45 3.3 9.7 1.0 CE1 A:HIS12 3.5 10.8 1.0 OG1 A:THR45 3.6 13.9 1.0 CA A:ASN44 3.7 9.3 1.0 O A:HOH315 3.7 30.4 1.0 C A:ASN44 3.9 9.2 1.0 CD1 A:PHE120 3.9 12.3 1.0 CB A:THR45 4.0 9.9 1.0 O A:HOH299 4.0 27.0 1.0 ND1 A:HIS12 4.2 10.1 1.0 CA A:THR45 4.2 9.2 1.0 O A:VAL43 4.3 11.9 1.0 N A:ASN44 4.4 9.7 1.0 CB A:PHE120 4.4 11.2 1.0 OD1 A:ASN44 4.4 12.3 1.0 NZ A:LYS41 4.4 18.2 1.0 CG A:PHE120 4.4 11.7 1.0 NE2 A:HIS12 4.5 11.2 1.0 O A:PHE120 4.6 13.0 1.0 C A:VAL43 4.6 10.3 1.0 CG1 A:VAL43 4.7 13.1 1.0 CE1 A:PHE120 4.7 12.5 1.0 O A:HOH347 4.7 31.1 1.0 CB A:ASN44 4.8 10.0 1.0 CG A:ASN44 4.8 10.1 1.0 O A:THR45 4.9 10.0 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of Native Rnase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Native Rnase A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:13.7 occ:1.00 OG1 A:THR3 3.1 10.4 1.0 O A:HOH243 3.1 15.5 1.0 O A:HOH229 3.2 15.0 1.0 CB A:THR3 4.0 10.6 1.0 CG2 A:THR3 4.1 11.5 1.0 N A:ALA6 4.2 7.9 1.0 CB A:ALA5 4.2 10.8 1.0 CB A:ALA6 4.2 9.1 1.0 O A:HOH231 4.2 14.8 1.0 CA A:ALA6 4.6 8.3 1.0 O A:HOH244 4.8 15.4 1.0 C A:ALA5 4.9 8.7 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Native Rnase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Native Rnase A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:13.9 occ:1.00 ND2 A:ASN34 3.2 19.6 1.0 CD A:ARG10 3.4 11.3 1.0 NE A:ARG10 3.8 11.6 1.0 CB A:ASN34 3.9 16.6 1.0 CG A:ASN34 4.1 18.1 1.0 CZ A:ARG10 4.2 12.8 1.0 NH1 A:ARG10 4.4 14.3 1.0 O A:HOH351 4.7 33.9 1.0 O A:ARG33 4.7 13.2 1.0 CG A:ARG10 4.8 10.6 1.0

D.J.Boerema, V.A.Tereshko, S.B.Kent. Total Synthesis By Modern Chemical Ligation Methods and High Resolution (1.1 A) X-Ray Structure of Ribonuclease A Biopolymers V. 90 278 2008.
ISSN: ISSN 0006-3525
PubMed: 17610259
DOI: 10.1002/BIP.20800