Iron in PDB 1rwj: C7-Type Three-Heme Cytochrome Domain

The structure of C7-Type Three-Heme Cytochrome Domain, PDB code: 1rwj was solved by P.R.Pokkuluri, Y.Y.Londer, N.E.C.Duke, J.Erickson, M.Pessanha, C.A.Salgueiro, M.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.28 / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.800, 43.800, 123.800, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.8

The binding sites of Iron atom in the C7-Type Three-Heme Cytochrome Domain (pdb code 1rwj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the C7-Type Three-Heme Cytochrome Domain, PDB code: 1rwj:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the C7-Type Three-Heme Cytochrome Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of C7-Type Three-Heme Cytochrome Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe90 b:16.6 occ:1.00 FE A:HEM90 0.0 16.6 1.0 NC A:HEM90 2.0 15.0 1.0 ND A:HEM90 2.0 14.8 1.0 NE2 A:HIS36 2.0 14.5 1.0 NB A:HEM90 2.0 15.7 1.0 NA A:HEM90 2.0 15.5 1.0 NE2 A:HIS23 2.0 15.1 1.0 CE1 A:HIS36 3.0 18.1 1.0 CE1 A:HIS23 3.0 16.8 1.0 C4C A:HEM90 3.0 14.6 1.0 C1D A:HEM90 3.0 15.6 1.0 C1C A:HEM90 3.0 15.1 1.0 CD2 A:HIS36 3.0 15.5 1.0 C4A A:HEM90 3.0 16.2 1.0 C4B A:HEM90 3.0 16.3 1.0 C1B A:HEM90 3.0 15.2 1.0 C4D A:HEM90 3.1 14.8 1.0 C1A A:HEM90 3.1 16.2 1.0 CD2 A:HIS23 3.1 16.7 1.0 CHD A:HEM90 3.4 15.4 1.0 CHC A:HEM90 3.4 15.3 1.0 CHB A:HEM90 3.4 15.5 1.0 CHA A:HEM90 3.5 15.1 1.0 ND1 A:HIS36 4.1 16.0 1.0 ND1 A:HIS23 4.2 17.6 1.0 CG A:HIS36 4.2 16.0 1.0 CG A:HIS23 4.2 17.6 1.0 C3C A:HEM90 4.3 15.1 1.0 C2D A:HEM90 4.3 15.5 1.0 C2C A:HEM90 4.3 14.7 1.0 C2B A:HEM90 4.3 15.1 1.0 C3A A:HEM90 4.3 16.1 1.0 C3D A:HEM90 4.3 16.1 1.0 C3B A:HEM90 4.3 15.4 1.0 C2A A:HEM90 4.3 16.6 1.0 CB A:PRO5 4.8 22.0 1.0 CE2 A:PHE21 4.9 17.8 1.0

Iron binding site 2 out of 3 in the C7-Type Three-Heme Cytochrome Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of C7-Type Three-Heme Cytochrome Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe91 b:18.9 occ:1.00 FE A:HEM91 0.0 18.9 1.0 NC A:HEM91 2.0 16.8 1.0 NB A:HEM91 2.0 18.6 1.0 NA A:HEM91 2.0 18.9 1.0 ND A:HEM91 2.0 18.3 1.0 NE2 A:HIS64 2.0 18.4 1.0 NE2 A:HIS26 2.0 16.0 1.0 CE1 A:HIS64 2.9 20.6 1.0 CE1 A:HIS26 2.9 18.3 1.0 C1C A:HEM91 3.0 16.7 1.0 C4B A:HEM91 3.0 17.0 1.0 C4C A:HEM91 3.0 16.9 1.0 C1B A:HEM91 3.0 16.8 1.0 C4A A:HEM91 3.0 18.6 1.0 C1D A:HEM91 3.0 18.0 1.0 C1A A:HEM91 3.1 21.7 1.0 C4D A:HEM91 3.1 20.2 1.0 CD2 A:HIS26 3.1 16.6 1.0 CD2 A:HIS64 3.1 18.6 1.0 CHC A:HEM91 3.4 17.6 1.0 CHB A:HEM91 3.4 18.2 1.0 CHA A:HEM91 3.4 20.2 1.0 CHD A:HEM91 3.4 18.4 1.0 ND1 A:HIS64 4.1 18.6 1.0 ND1 A:HIS26 4.1 16.7 1.0 CG A:HIS26 4.2 16.6 1.0 CG A:HIS64 4.2 19.7 1.0 C2C A:HEM91 4.2 18.0 1.0 C3C A:HEM91 4.3 17.0 1.0 C3B A:HEM91 4.3 16.4 1.0 C2B A:HEM91 4.3 17.1 1.0 C2A A:HEM91 4.3 21.3 1.0 C3A A:HEM91 4.3 20.9 1.0 C2D A:HEM91 4.3 20.1 1.0 C3D A:HEM91 4.3 20.5 1.0 CE1 A:PHE21 4.9 18.8 1.0

Iron binding site 3 out of 3 in the C7-Type Three-Heme Cytochrome Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of C7-Type Three-Heme Cytochrome Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe92 b:18.8 occ:1.00 FE A:HEM92 0.0 18.8 1.0 NB A:HEM92 2.0 18.2 1.0 ND A:HEM92 2.0 16.6 1.0 NA A:HEM92 2.0 18.1 1.0 NC A:HEM92 2.0 18.0 1.0 NE2 A:HIS80 2.0 19.3 1.0 SD A:MET51 2.3 18.2 1.0 CE1 A:HIS80 2.9 20.4 1.0 C4D A:HEM92 3.0 17.3 1.0 C1B A:HEM92 3.0 19.5 1.0 C1A A:HEM92 3.0 19.4 1.0 C1D A:HEM92 3.0 18.0 1.0 C4B A:HEM92 3.0 19.7 1.0 C4A A:HEM92 3.0 18.2 1.0 C4C A:HEM92 3.0 18.2 1.0 C1C A:HEM92 3.1 18.8 1.0 CD2 A:HIS80 3.1 21.8 1.0 CHA A:HEM92 3.4 17.6 1.0 CG A:MET51 3.4 16.6 1.0 CHB A:HEM92 3.4 18.0 1.0 CHD A:HEM92 3.4 18.3 1.0 CHC A:HEM92 3.4 17.5 1.0 CE A:MET51 3.5 20.3 1.0 ND1 A:HIS80 4.1 18.8 1.0 CG A:HIS80 4.2 22.2 1.0 C2B A:HEM92 4.2 19.6 1.0 C3D A:HEM92 4.2 18.1 1.0 C2D A:HEM92 4.2 17.6 1.0 C2A A:HEM92 4.3 19.0 1.0 C3B A:HEM92 4.3 20.3 1.0 C3A A:HEM92 4.3 19.0 1.0 C3C A:HEM92 4.3 18.1 1.0 C2C A:HEM92 4.3 19.2 1.0 CB A:MET51 4.8 19.1 1.0

P.R.Pokkuluri, Y.Y.Londer, N.E.C.Duke, J.Erickson, M.Pessanha, C.A.Salgueiro, M.Schiffer. Structure of A Novel C7-Type Three-Heme Cytochrome Domain From A Multidomain Cytochrome C Polymer. Protein Sci. V. 13 1684 2004.
ISSN: ISSN 0961-8368
PubMed: 15133162
DOI: 10.1110/PS.04626204