Iron in PDB 3c63: Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination

The structure of Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination, PDB code: 3c63 was solved by F.A.Tezcan, E.N.Salgado, R.A.Lewis, J.Faraone-Mennella, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.24 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.966, 89.899, 49.688, 90.00, 110.30, 90.00
R / Rfree (%)	19.9 / 24.7

The structure of Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination also contains other interesting chemical elements:

Calcium	(Ca)	5 atoms
Zinc	(Zn)	4 atoms

The binding sites of Iron atom in the Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination (pdb code 3c63). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination, PDB code: 3c63:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe150 b:7.4 occ:1.00 FE A:HEM150 0.0 7.4 1.0 NB A:HEM150 1.9 4.7 1.0 NE2 A:HIS102 2.0 6.3 1.0 ND A:HEM150 2.0 5.9 1.0 NC A:HEM150 2.0 4.3 1.0 NA A:HEM150 2.0 5.3 1.0 SD A:MET7 2.3 4.7 1.0 CE1 A:HIS102 2.9 6.4 1.0 C4B A:HEM150 3.0 5.1 1.0 CD2 A:HIS102 3.0 3.3 1.0 C1C A:HEM150 3.0 5.9 1.0 C1B A:HEM150 3.0 4.5 1.0 C4D A:HEM150 3.1 7.0 1.0 C1A A:HEM150 3.1 6.4 1.0 C4A A:HEM150 3.1 4.6 1.0 C1D A:HEM150 3.1 6.8 1.0 C4C A:HEM150 3.1 5.3 1.0 CHC A:HEM150 3.4 5.2 1.0 CE A:MET7 3.4 6.7 1.0 CHA A:HEM150 3.4 8.7 1.0 CG A:MET7 3.5 3.4 1.0 CHB A:HEM150 3.5 4.3 1.0 CHD A:HEM150 3.5 6.0 1.0 ND1 A:HIS102 4.1 7.2 1.0 CG A:HIS102 4.1 5.1 1.0 CB A:MET7 4.2 4.0 1.0 C3B A:HEM150 4.2 3.3 1.0 C2B A:HEM150 4.2 4.6 1.0 C2C A:HEM150 4.3 5.8 1.0 C3D A:HEM150 4.3 7.4 1.0 C2A A:HEM150 4.3 7.6 1.0 C2D A:HEM150 4.3 7.3 1.0 C3A A:HEM150 4.4 6.3 1.0 C3C A:HEM150 4.4 4.7 1.0

Iron binding site 2 out of 4 in the Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe150 b:6.6 occ:1.00 FE B:HEM150 0.0 6.6 1.0 ND B:HEM150 1.9 4.2 1.0 NA B:HEM150 2.0 5.0 1.0 NB B:HEM150 2.0 5.8 1.0 NC B:HEM150 2.1 3.5 1.0 NE2 B:HIS102 2.1 4.9 1.0 SD B:MET7 2.3 7.0 1.0 C4D B:HEM150 2.9 6.2 1.0 C1D B:HEM150 3.0 5.3 1.0 C1A B:HEM150 3.0 6.1 1.0 CD2 B:HIS102 3.0 5.4 1.0 C1B B:HEM150 3.0 7.7 1.0 C4B B:HEM150 3.0 5.6 1.0 C4A B:HEM150 3.0 6.5 1.0 CE1 B:HIS102 3.1 7.0 1.0 C1C B:HEM150 3.1 3.7 1.0 C4C B:HEM150 3.1 4.4 1.0 CE B:MET7 3.3 6.4 1.0 CHA B:HEM150 3.4 5.6 1.0 CHD B:HEM150 3.4 3.8 1.0 CHB B:HEM150 3.4 5.2 1.0 CHC B:HEM150 3.4 5.1 1.0 CG B:MET7 3.5 2.2 1.0 C3D B:HEM150 4.2 5.1 1.0 CB B:MET7 4.2 4.7 1.0 ND1 B:HIS102 4.2 6.1 1.0 C2D B:HEM150 4.2 4.4 1.0 CG B:HIS102 4.2 6.3 1.0 C2B B:HEM150 4.3 5.6 1.0 C2A B:HEM150 4.3 6.4 1.0 C3A B:HEM150 4.3 5.2 1.0 C3B B:HEM150 4.3 5.2 1.0 C2C B:HEM150 4.3 2.9 1.0 C3C B:HEM150 4.4 3.8 1.0

Iron binding site 3 out of 4 in the Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe150 b:19.6 occ:1.00 FE C:HEM150 0.0 19.6 1.0 NA C:HEM150 2.0 20.3 1.0 ND C:HEM150 2.0 18.6 1.0 NB C:HEM150 2.0 17.4 1.0 NE2 C:HIS102 2.1 15.7 1.0 NC C:HEM150 2.1 15.0 1.0 SD C:MET7 2.2 18.7 1.0 CE1 C:HIS102 3.0 17.1 1.0 C1A C:HEM150 3.0 22.8 1.0 C4D C:HEM150 3.0 20.1 1.0 C4A C:HEM150 3.0 20.8 1.0 C1B C:HEM150 3.1 18.2 1.0 C4B C:HEM150 3.1 18.1 1.0 C1D C:HEM150 3.1 18.9 1.0 CD2 C:HIS102 3.1 17.5 1.0 C1C C:HEM150 3.1 16.7 1.0 C4C C:HEM150 3.1 16.1 1.0 CG C:MET7 3.3 20.9 1.0 CE C:MET7 3.4 18.7 1.0 CHA C:HEM150 3.4 21.4 1.0 CHB C:HEM150 3.4 20.2 1.0 CHC C:HEM150 3.5 15.3 1.0 CHD C:HEM150 3.5 16.1 1.0 ND1 C:HIS102 4.2 17.0 1.0 CB C:MET7 4.2 19.8 1.0 CG C:HIS102 4.2 18.0 1.0 C2A C:HEM150 4.3 22.4 1.0 C3A C:HEM150 4.3 22.1 1.0 C3D C:HEM150 4.3 20.7 1.0 C2B C:HEM150 4.3 17.9 1.0 C2D C:HEM150 4.3 19.3 1.0 C3B C:HEM150 4.3 16.9 1.0 C2C C:HEM150 4.4 14.9 1.0 C3C C:HEM150 4.4 14.5 1.0

Iron binding site 4 out of 4 in the Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Tetrameric Cytochrome CB562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized By Interprotein Zinc Coordination within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe150 b:7.6 occ:1.00 FE D:HEM150 0.0 7.6 1.0 ND D:HEM150 2.0 6.1 1.0 NE2 D:HIS102 2.0 6.6 1.0 NC D:HEM150 2.0 7.2 1.0 NB D:HEM150 2.0 5.8 1.0 NA D:HEM150 2.0 6.3 1.0 SD D:MET7 2.3 6.2 1.0 CE1 D:HIS102 2.9 3.8 1.0 CD2 D:HIS102 3.0 4.1 1.0 C1D D:HEM150 3.0 6.0 1.0 C1C D:HEM150 3.0 5.2 1.0 C4C D:HEM150 3.0 6.2 1.0 C4B D:HEM150 3.0 5.7 1.0 C4D D:HEM150 3.0 6.0 1.0 C4A D:HEM150 3.1 4.5 1.0 C1A D:HEM150 3.1 5.5 1.0 C1B D:HEM150 3.1 6.7 1.0 CHC D:HEM150 3.4 5.5 1.0 CHD D:HEM150 3.4 6.6 1.0 CE D:MET7 3.4 4.9 1.0 CG D:MET7 3.4 2.5 1.0 CHB D:HEM150 3.5 4.7 1.0 CHA D:HEM150 3.5 4.5 1.0 ND1 D:HIS102 4.1 7.9 1.0 CG D:HIS102 4.1 5.5 1.0 CB D:MET7 4.2 5.4 1.0 C2D D:HEM150 4.2 7.0 1.0 C3D D:HEM150 4.2 7.1 1.0 C2C D:HEM150 4.3 4.7 1.0 C3C D:HEM150 4.3 5.1 1.0 C3B D:HEM150 4.3 4.9 1.0 C2A D:HEM150 4.3 6.8 1.0 C3A D:HEM150 4.3 5.2 1.0 C2B D:HEM150 4.3 5.3 1.0

E.N.Salgado, R.A.Lewis, J.Faraone-Mennella, F.A.Tezcan. Metal-Mediated Self-Assembly of Protein Superstructures: Influence of Secondary Interactions on Protein Oligomerization and Aggregation. J.Am.Chem.Soc. V. 130 6082 2008.
ISSN: ISSN 0002-7863
PubMed: 18422313
DOI: 10.1021/JA8012177