Iron in PDB 4j20: X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum

The structure of X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum, PDB code: 4j20 was solved by M.Unno, L.J.Yu, Z.Y.Wang-Otomo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.824, 33.826, 47.333, 90.00, 107.83, 90.00
R / Rfree (%)	15 / 17

The structure of X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum (pdb code 4j20). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum, PDB code: 4j20:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:9.3 occ:1.00 FE A:HEB107 0.0 9.3 1.0 NC A:HEB107 2.0 9.7 1.0 NB A:HEB107 2.0 9.5 1.0 ND A:HEB107 2.0 9.7 1.0 NA A:HEB107 2.0 9.0 1.0 NE2 A:HIS20 2.0 8.7 1.0 SD A:MET62 2.3 10.0 1.0 CE1 A:HIS20 2.9 9.0 1.0 C1C A:HEB107 3.0 9.2 1.0 C4D A:HEB107 3.0 10.0 1.0 C1D A:HEB107 3.0 9.5 1.0 C4A A:HEB107 3.0 8.6 1.0 C1A A:HEB107 3.1 9.1 1.0 C4B A:HEB107 3.1 8.6 1.0 C1B A:HEB107 3.1 8.6 1.0 C4C A:HEB107 3.1 9.5 1.0 CD2 A:HIS20 3.1 9.0 1.0 CE A:MET62 3.3 10.6 1.0 CHC A:HEB107 3.4 10.1 1.0 CHA A:HEB107 3.4 9.4 1.0 CHD A:HEB107 3.4 10.5 1.0 CHB A:HEB107 3.4 8.3 1.0 CG A:MET62 3.5 10.2 1.0 ND1 A:HIS20 4.1 8.8 1.0 CG A:HIS20 4.2 8.7 1.0 CB A:MET62 4.2 10.3 1.0 C3C A:HEB107 4.3 10.1 1.0 C2C A:HEB107 4.3 9.9 1.0 C3A A:HEB107 4.3 8.5 1.0 C2A A:HEB107 4.3 9.2 1.0 C3D A:HEB107 4.3 10.9 1.0 C2D A:HEB107 4.3 9.6 1.0 C3B A:HEB107 4.3 9.5 1.0 C2B A:HEB107 4.3 8.9 1.0 CA A:MET62 4.6 10.5 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the Cytochrome C-554 From Chlorobaculum Tepidum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe104 b:13.1 occ:1.00 FE B:HEB104 0.0 13.1 1.0 NB B:HEB104 2.0 11.7 1.0 NC B:HEB104 2.0 13.8 1.0 NE2 B:HIS20 2.0 10.6 1.0 ND B:HEB104 2.0 13.2 1.0 NA B:HEB104 2.0 12.2 1.0 SD B:MET62 2.3 14.5 1.0 CE1 B:HIS20 3.0 11.4 1.0 C1D B:HEB104 3.0 14.6 1.0 C1B B:HEB104 3.0 10.9 1.0 C4C B:HEB104 3.0 13.8 1.0 C4B B:HEB104 3.0 12.1 1.0 C1C B:HEB104 3.0 13.3 1.0 C4A B:HEB104 3.0 11.8 1.0 CD2 B:HIS20 3.1 11.4 1.0 C4D B:HEB104 3.1 13.7 1.0 C1A B:HEB104 3.1 12.2 1.0 CE B:MET62 3.4 14.2 1.0 CHD B:HEB104 3.4 15.6 1.0 CHC B:HEB104 3.4 12.6 1.0 CHB B:HEB104 3.4 12.2 1.0 CHA B:HEB104 3.4 12.3 1.0 CG B:MET62 3.5 14.3 1.0 ND1 B:HIS20 4.1 12.9 1.0 CG B:HIS20 4.2 11.8 1.0 CB B:MET62 4.2 15.6 1.0 C2C B:HEB104 4.2 14.3 1.0 C3C B:HEB104 4.2 14.9 1.0 C2B B:HEB104 4.3 11.6 1.0 C3B B:HEB104 4.3 11.4 1.0 C2D B:HEB104 4.3 16.4 1.0 C3A B:HEB104 4.3 14.0 1.0 C2A B:HEB104 4.3 12.4 1.0 C3D B:HEB104 4.3 14.6 1.0 CA B:MET62 4.7 17.8 1.0

L.J.Yu, M.Unno, Y.Kimura, K.Yanagimoto, H.Oh-Oka, Z.Y.Wang-Otomo. Structure Analysis and Characterization of the Cytochrome C-554 From Thermophilic Green Sulfur Photosynthetic Bacterium Chlorobaculum Tepidum Photosynth.Res. V. 118 249 2013.
ISSN: ISSN 0166-8595
PubMed: 24052268
DOI: 10.1007/S11120-013-9922-2