Iron 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:

Copper	(Cu)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Cu-Induced Dimer of the Engineered Cyt CB562 Variant Ridc-1, PDB code: 3hnl:
Jump to Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe150 b:11.6 occ:1.00 FE A:HEM150 0.0 11.6 1.0 NB A:HEM150 2.0 10.3 1.0 NA A:HEM150 2.0 11.4 1.0 ND A:HEM150 2.1 11.5 1.0 NE2 A:HIS102 2.1 10.8 1.0 NC A:HEM150 2.1 10.3 1.0 SD A:MET7 2.5 11.4 1.0 CD2 A:HIS102 3.0 9.7 1.0 C4D A:HEM150 3.0 11.9 1.0 C1A A:HEM150 3.0 11.2 1.0 C4A A:HEM150 3.1 10.4 1.0 C1B A:HEM150 3.1 10.9 1.0 CE1 A:HIS102 3.1 10.7 1.0 C4B A:HEM150 3.1 10.3 1.0 C1D A:HEM150 3.1 11.6 1.0 C1C A:HEM150 3.1 10.5 1.0 C4C A:HEM150 3.1 9.6 1.0 CHA A:HEM150 3.4 11.2 1.0 CHB A:HEM150 3.4 10.7 1.0 CHC A:HEM150 3.5 10.7 1.0 CHD A:HEM150 3.5 11.2 1.0 CG A:MET7 3.6 11.0 1.0 CE A:MET7 3.6 11.1 1.0 ND1 A:HIS102 4.2 10.4 1.0 CG A:HIS102 4.2 10.4 1.0 C2A A:HEM150 4.3 10.9 1.0 C3A A:HEM150 4.3 10.4 1.0 C3D A:HEM150 4.3 12.0 1.0 C2B A:HEM150 4.3 10.4 1.0 C3B A:HEM150 4.3 9.4 1.0 C2D A:HEM150 4.3 11.8 1.0 CB A:MET7 4.3 12.0 1.0 C2C A:HEM150 4.3 9.2 1.0 C3C A:HEM150 4.4 10.3 1.0 NH1 A:ARG106 4.9 11.8 1.0

Iron 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 Iron with other atoms in the Fe 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 B:Fe150 b:10.8 occ:1.00 FE B:HEM150 0.0 10.8 1.0 NE2 B:HIS102 2.0 9.5 1.0 ND B:HEM150 2.0 10.7 1.0 NC B:HEM150 2.1 10.0 1.0 NA B:HEM150 2.1 10.2 1.0 NB B:HEM150 2.1 10.5 1.0 SD B:MET7 2.4 8.3 1.0 CE1 B:HIS102 3.0 10.5 1.0 CD2 B:HIS102 3.0 8.0 1.0 C4D B:HEM150 3.0 11.5 1.0 C1D B:HEM150 3.1 10.4 1.0 C1A B:HEM150 3.1 10.1 1.0 C4C B:HEM150 3.1 9.7 1.0 C1C B:HEM150 3.1 9.2 1.0 C4A B:HEM150 3.1 9.9 1.0 C4B B:HEM150 3.1 9.3 1.0 C1B B:HEM150 3.1 9.8 1.0 CE B:MET7 3.3 9.4 1.0 CHA B:HEM150 3.4 9.8 1.0 CHD B:HEM150 3.4 9.8 1.0 CHC B:HEM150 3.5 8.9 1.0 CHB B:HEM150 3.5 9.6 1.0 CG B:MET7 3.5 10.5 1.0 ND1 B:HIS102 4.1 9.7 1.0 CG B:HIS102 4.1 10.0 1.0 C3D B:HEM150 4.3 11.6 1.0 C2D B:HEM150 4.3 10.5 1.0 CB B:MET7 4.3 11.6 1.0 C2C B:HEM150 4.3 9.2 1.0 C3C B:HEM150 4.3 9.0 1.0 C2A B:HEM150 4.3 9.2 1.0 C3A B:HEM150 4.3 9.9 1.0 C2B B:HEM150 4.4 9.1 1.0 C3B B:HEM150 4.4 8.8 1.0 NH2 B:ARG106 4.9 10.2 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