Iron in PDB 3u99: The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc

The structure of The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc, PDB code: 3u99 was solved by M.De March, G.Di Rocco, S.Geremia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.80 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.810, 42.970, 81.070, 90.00, 90.00, 90.00
R / Rfree (%)	10.7 / 15.4

The binding sites of Iron atom in the The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc (pdb code 3u99). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc, PDB code: 3u99:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:6.3 occ:1.00 FE A:HEC500 0.0 6.3 1.0 NE2 A:HIS101 2.0 7.2 1.0 NA A:HEC500 2.0 7.2 1.0 ND A:HEC500 2.0 6.7 1.0 NE2 A:HIS125 2.0 6.7 1.0 NC A:HEC500 2.0 6.7 1.0 NB A:HEC500 2.0 6.5 1.0 CE1 A:HIS101 3.0 7.4 1.0 CE1 A:HIS125 3.0 7.2 1.0 C4D A:HEC500 3.0 7.8 1.0 CD2 A:HIS101 3.0 6.8 1.0 C1D A:HEC500 3.0 7.5 1.0 C1C A:HEC500 3.0 7.1 1.0 C4C A:HEC500 3.0 7.1 1.0 C4A A:HEC500 3.0 8.1 1.0 C1A A:HEC500 3.0 7.4 1.0 C4B A:HEC500 3.0 6.9 1.0 C1B A:HEC500 3.1 7.4 1.0 CD2 A:HIS125 3.1 7.0 1.0 HE1 A:HIS125 3.1 8.6 1.0 HE1 A:HIS101 3.2 8.9 1.0 HD2 A:HIS101 3.2 8.2 1.0 HD2 A:HIS125 3.3 8.4 1.0 CHB A:HEC500 3.4 8.2 1.0 CHD A:HEC500 3.4 8.1 1.0 CHA A:HEC500 3.4 8.2 1.0 CHC A:HEC500 3.4 7.5 1.0 ND1 A:HIS101 4.1 7.9 1.0 ND1 A:HIS125 4.1 7.3 1.0 CG A:HIS101 4.2 7.5 1.0 CG A:HIS125 4.2 7.3 1.0 C3C A:HEC500 4.2 7.5 1.0 C3B A:HEC500 4.2 8.1 1.0 C2D A:HEC500 4.2 8.2 1.0 C2B A:HEC500 4.2 7.6 1.0 C2C A:HEC500 4.3 7.5 1.0 C3A A:HEC500 4.3 8.5 1.0 C2A A:HEC500 4.3 8.3 1.0 C3D A:HEC500 4.3 9.2 1.0 HE1 A:PHE97 4.3 14.0 1.0 HD1 A:PHE133 4.4 11.3 1.0 HB3 A:PHE133 4.7 10.9 1.0 CE1 A:PHE97 4.8 11.7 1.0 HD1 A:HIS101 4.9 9.5 1.0 HZ A:PHE97 4.9 13.8 1.0 HG21 A:VAL138 4.9 20.1 1.0 HD1 A:HIS125 4.9 8.8 1.0 HD12 A:ILE104 5.0 17.0 1.0

Iron binding site 2 out of 2 in the The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Experimental X-Ray Structure of the New Diheme Cytochrome Type C From Shewanella Baltica OS155 Sb-Dhc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:6.2 occ:1.00 FE A:HEC700 0.0 6.2 1.0 NE2 A:HIS46 2.0 6.9 1.0 ND A:HEC700 2.0 7.0 1.0 NC A:HEC700 2.0 6.9 1.0 NA A:HEC700 2.0 7.2 1.0 NB A:HEC700 2.0 6.3 1.0 NE2 A:HIS23 2.0 7.3 1.0 CD2 A:HIS46 3.0 7.9 1.0 C1D A:HEC700 3.0 8.3 1.0 C4D A:HEC700 3.0 8.2 1.0 CE1 A:HIS46 3.0 8.5 1.0 C1C A:HEC700 3.0 7.3 1.0 C4A A:HEC700 3.0 6.7 1.0 C1A A:HEC700 3.0 7.5 1.0 CE1 A:HIS23 3.0 7.5 1.0 C1B A:HEC700 3.1 7.0 1.0 C4B A:HEC700 3.1 7.0 1.0 C4C A:HEC700 3.1 7.8 1.0 CD2 A:HIS23 3.1 8.1 1.0 HD2 A:HIS46 3.2 9.4 1.0 HE1 A:HIS46 3.2 10.2 1.0 HE1 A:HIS23 3.2 9.0 1.0 HD2 A:HIS23 3.2 9.7 1.0 CHA A:HEC700 3.4 8.4 1.0 CHC A:HEC700 3.4 7.3 1.0 CHD A:HEC700 3.4 8.2 1.0 CHB A:HEC700 3.4 7.3 1.0 HD2 A:PHE47 3.9 14.3 1.0 CG A:HIS46 4.1 8.0 1.0 ND1 A:HIS46 4.1 8.2 1.0 ND1 A:HIS23 4.2 8.1 1.0 CG A:HIS23 4.2 8.6 1.0 C3C A:HEC700 4.2 8.4 1.0 C2C A:HEC700 4.3 7.8 1.0 C2D A:HEC700 4.3 9.7 1.0 C2B A:HEC700 4.3 7.5 1.0 C3D A:HEC700 4.3 9.5 1.0 C3B A:HEC700 4.3 7.2 1.0 C3A A:HEC700 4.3 8.0 1.0 C2A A:HEC700 4.3 8.3 1.0 HE2 A:TYR26 4.3 10.9 1.0 O A:HOH187 4.6 11.2 1.0 HE2 A:PHE47 4.7 14.9 1.0 CD2 A:PHE47 4.8 12.0 1.0 HB1 A:ALA51 4.8 14.4 1.0 HB2 A:CYS22 4.9 12.7 1.0 HD1 A:HIS46 4.9 9.8 1.0 HD1 A:HIS23 5.0 9.7 1.0

M.De March, G.Di Rocco, N.Hickey, S.Geremia. High-Resolution Crystal Structure of the Recombinant Diheme Cytochrome C From Shewanella Baltica (OS155). J.Biomol.Struct.Dyn. V. 33 395 2015.
ISSN: ISSN 0739-1102
PubMed: 24559494
DOI: 10.1080/07391102.2014.880657