Iron in PDB 3vrd: Crystal Structure of Flavocytochrome C From Thermochromatium Tepidum

The structure of Crystal Structure of Flavocytochrome C From Thermochromatium Tepidum, PDB code: 3vrd was solved by Y.Hirano, Y.Kimura, H.Suzuki, K.Miki, Z.-Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	140.617, 140.617, 57.720, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.5

The binding sites of Iron atom in the Crystal Structure of Flavocytochrome C From Thermochromatium Tepidum (pdb code 3vrd). 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 Flavocytochrome C From Thermochromatium Tepidum, PDB code: 3vrd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Flavocytochrome C From Thermochromatium Tepidum


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 Flavocytochrome C From Thermochromatium Tepidum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:6.4 occ:1.00 FE A:HEC201 0.0 6.4 1.0 NE2 A:HIS15 2.0 6.5 1.0 NB A:HEC201 2.0 5.9 1.0 ND A:HEC201 2.0 5.3 1.0 NC A:HEC201 2.0 6.0 1.0 NA A:HEC201 2.0 6.0 1.0 SD A:MET54 2.3 6.5 1.0 CE1 A:HIS15 3.0 5.8 1.0 C4A A:HEC201 3.0 6.7 1.0 C1B A:HEC201 3.0 6.3 1.0 C4C A:HEC201 3.0 6.4 1.0 C1C A:HEC201 3.0 6.6 1.0 C1D A:HEC201 3.0 5.8 1.0 C4B A:HEC201 3.0 6.5 1.0 CD2 A:HIS15 3.1 6.5 1.0 C4D A:HEC201 3.1 5.7 1.0 C1A A:HEC201 3.1 6.5 1.0 CE A:MET54 3.3 7.7 1.0 CG A:MET54 3.3 7.2 1.0 CHB A:HEC201 3.4 6.8 1.0 CHC A:HEC201 3.5 6.7 1.0 CHD A:HEC201 3.5 5.7 1.0 CHA A:HEC201 3.5 5.5 1.0 ND1 A:HIS15 4.1 6.0 1.0 CG A:HIS15 4.2 7.0 1.0 C3B A:HEC201 4.2 6.6 1.0 C3A A:HEC201 4.3 6.0 1.0 C2D A:HEC201 4.3 5.8 1.0 C3C A:HEC201 4.3 7.7 1.0 C2B A:HEC201 4.3 6.7 1.0 C3D A:HEC201 4.3 5.8 1.0 C2C A:HEC201 4.3 6.9 1.0 C2A A:HEC201 4.3 6.4 1.0 CB A:MET54 4.7 8.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Flavocytochrome C From Thermochromatium Tepidum


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 Flavocytochrome C From Thermochromatium Tepidum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:10.4 occ:1.00 FE A:HEC202 0.0 10.4 1.0 NB A:HEC202 2.0 10.0 1.0 ND A:HEC202 2.0 9.7 1.0 NE2 A:HIS105 2.0 8.6 1.0 NA A:HEC202 2.0 8.4 1.0 NC A:HEC202 2.0 9.7 1.0 SD A:MET147 2.4 11.1 1.0 C4C A:HEC202 2.9 10.0 1.0 C4A A:HEC202 2.9 8.7 1.0 C1B A:HEC202 3.0 10.3 1.0 CE1 A:HIS105 3.0 10.5 1.0 C1D A:HEC202 3.0 10.2 1.0 C4B A:HEC202 3.0 10.2 1.0 CD2 A:HIS105 3.0 9.4 1.0 C4D A:HEC202 3.1 9.7 1.0 C1A A:HEC202 3.1 9.6 1.0 C1C A:HEC202 3.1 10.7 1.0 CE A:MET147 3.3 10.7 1.0 CHD A:HEC202 3.3 11.3 1.0 CHB A:HEC202 3.4 9.6 1.0 CHC A:HEC202 3.4 11.6 1.0 CHA A:HEC202 3.4 9.3 1.0 CG A:MET147 3.5 10.9 1.0 ND1 A:HIS105 4.1 10.6 1.0 CG A:HIS105 4.2 10.2 1.0 C3C A:HEC202 4.2 12.4 1.0 CB A:MET147 4.2 11.1 1.0 C3B A:HEC202 4.2 9.6 1.0 C2C A:HEC202 4.3 12.5 1.0 C2A A:HEC202 4.3 8.8 1.0 C2B A:HEC202 4.3 10.5 1.0 C3A A:HEC202 4.3 9.2 1.0 C2D A:HEC202 4.3 11.6 1.0 C3D A:HEC202 4.3 11.0 1.0 O A:HOH375 4.8 18.8 1.0

Y.Hirano, Y.Kimura, H.Suzuki, K.Miki, Z.-Y.Wang. Structure Analysis and Comparative Characterization of the Cytochrome C' and Flavocytochrome C From Thermophilic Purple Photosynthetic Bacterium Thermochromatium Tepidum Biochemistry V. 51 6556 2012.
ISSN: ISSN 0006-2960
PubMed: 22827326
DOI: 10.1021/BI3005522