Chlorine in PDB 3hnl: Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1

The structure of Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1, PDB code: 3hnl was solved by E.N.Salgado, R.A.Lewis, J.Brodin, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.20 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.165, 87.045, 80.765, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 27

The structure of Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Copper	(Cu)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1 (pdb code 3hnl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1, PDB code: 3hnl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1


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 the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl108 b:12.9 occ:1.00 O A:HOH206 3.1 17.9 1.0 N A:ALA23 3.2 11.6 1.0 CB A:ALA23 3.6 11.7 1.0 CB A:ASN22 3.8 11.9 1.0 CA A:ALA23 4.0 11.6 1.0 CA A:ASN22 4.0 12.1 1.0 C A:ASN22 4.1 12.1 1.0 CG2 A:VAL84 4.2 13.4 1.0 CG A:ASN22 4.9 11.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1


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 the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl109 b:19.8 occ:1.00 O A:HOH203 2.5 44.9 1.0 O A:HOH118 2.7 32.9 1.0 O A:HOH117 2.8 15.4 1.0 O A:HOH194 3.8 24.3 1.0 O A:HOH199 4.3 24.8 1.0 N A:LEU3 4.8 23.4 1.0 CB A:LEU3 4.9 23.0 1.0 O A:HOH193 4.9 18.1 1.0

E.N.Salgado, X.I.Ambroggio, J.D.Brodin, R.A.Lewis, B.Kuhlman, F.A.Tezcan. Metal Templated Design of Protein Interfaces. Proc.Natl.Acad.Sci.Usa V. 107 1827 2010.
ISSN: ISSN 0027-8424
PubMed: 20080561
DOI: 10.1073/PNAS.0906852107