Iron in PDB 3bxu: Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens

The structure of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens, PDB code: 3bxu was solved by P.R.Pokkuluri, M.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.07 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.200, 47.500, 88.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.6

The binding sites of Iron atom in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens (pdb code 3bxu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens, PDB code: 3bxu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe72 b:4.0 occ:1.00 FE A:HEM72 0.0 4.0 1.0 ND A:HEM72 2.0 4.7 1.0 NC A:HEM72 2.0 4.7 1.0 NA A:HEM72 2.0 4.0 1.0 NE2 A:HIS31 2.0 4.7 1.0 NE2 A:HIS17 2.0 4.5 1.0 NB A:HEM72 2.0 4.2 1.0 CE1 A:HIS31 3.0 5.3 1.0 CE1 A:HIS17 3.0 5.4 1.0 C1D A:HEM72 3.0 4.8 1.0 C4C A:HEM72 3.0 4.2 1.0 C1C A:HEM72 3.0 3.1 1.0 C4A A:HEM72 3.0 4.0 1.0 C4D A:HEM72 3.0 4.1 1.0 C1B A:HEM72 3.0 4.0 1.0 C4B A:HEM72 3.1 3.6 1.0 C1A A:HEM72 3.1 4.2 1.0 CD2 A:HIS31 3.1 5.2 1.0 CD2 A:HIS17 3.1 4.4 1.0 CHD A:HEM72 3.4 4.9 1.0 CHB A:HEM72 3.4 4.0 1.0 CHC A:HEM72 3.4 3.4 1.0 CHA A:HEM72 3.4 4.0 1.0 ND1 A:HIS31 4.1 6.2 1.0 ND1 A:HIS17 4.1 7.2 1.0 CG A:HIS31 4.2 4.2 1.0 CG A:HIS17 4.2 6.3 1.0 C2C A:HEM72 4.2 5.4 1.0 C3C A:HEM72 4.2 4.2 1.0 C2D A:HEM72 4.2 5.9 1.0 C2A A:HEM72 4.3 4.8 1.0 C3A A:HEM72 4.3 5.0 1.0 C3B A:HEM72 4.3 3.9 1.0 C3D A:HEM72 4.3 5.4 1.0 C2B A:HEM72 4.3 3.2 1.0 NE2 A:GLN21 4.8 10.9 1.0

Iron binding site 2 out of 6 in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe73 b:4.6 occ:1.00 FE A:HEM73 0.0 4.6 1.0 NB A:HEM73 2.0 4.7 1.0 NC A:HEM73 2.0 4.1 1.0 ND A:HEM73 2.0 3.8 1.0 NA A:HEM73 2.0 4.6 1.0 NE2 A:HIS55 2.0 3.2 1.0 NE2 A:HIS20 2.1 4.0 1.0 CE1 A:HIS55 2.9 4.5 1.0 C4B A:HEM73 3.0 4.7 1.0 C1C A:HEM73 3.0 4.5 1.0 C1D A:HEM73 3.0 4.7 1.0 C1B A:HEM73 3.0 5.3 1.0 C4D A:HEM73 3.0 4.5 1.0 CD2 A:HIS20 3.0 4.4 1.0 C1A A:HEM73 3.0 4.8 1.0 CE1 A:HIS20 3.0 4.6 1.0 C4C A:HEM73 3.1 4.1 1.0 C4A A:HEM73 3.1 5.0 1.0 CD2 A:HIS55 3.1 5.9 1.0 CHC A:HEM73 3.4 5.2 1.0 CHA A:HEM73 3.4 4.1 1.0 CHD A:HEM73 3.4 4.1 1.0 CHB A:HEM73 3.4 4.7 1.0 ND1 A:HIS55 4.1 5.7 1.0 ND1 A:HIS20 4.2 4.5 1.0 CG A:HIS20 4.2 4.7 1.0 CG A:HIS55 4.2 4.2 1.0 C3B A:HEM73 4.2 5.2 1.0 C2B A:HEM73 4.2 5.8 1.0 C2C A:HEM73 4.2 4.2 1.0 C2D A:HEM73 4.2 6.3 1.0 C3D A:HEM73 4.3 6.5 1.0 C3C A:HEM73 4.3 4.2 1.0 C2A A:HEM73 4.3 5.6 1.0 C3A A:HEM73 4.3 5.0 1.0 CE1 A:PHE15 4.9 5.1 1.0 CD A:PRO62 4.9 5.9 1.0

Iron binding site 3 out of 6 in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe74 b:5.7 occ:1.00 FE A:HEM74 0.0 5.7 1.0 NE2 A:HIS69 2.0 5.7 1.0 ND A:HEM74 2.0 5.8 1.0 NE2 A:HIS47 2.0 5.7 1.0 NC A:HEM74 2.0 5.1 1.0 NB A:HEM74 2.0 6.5 1.0 NA A:HEM74 2.0 5.5 1.0 CE1 A:HIS69 2.8 5.3 1.0 CE1 A:HIS47 2.9 6.4 1.0 C1D A:HEM74 3.0 4.2 1.0 C4C A:HEM74 3.0 5.3 1.0 C4D A:HEM74 3.0 5.8 1.0 C4B A:HEM74 3.0 6.1 1.0 C4A A:HEM74 3.0 5.5 1.0 C1A A:HEM74 3.0 5.0 1.0 C1B A:HEM74 3.0 5.8 1.0 C1C A:HEM74 3.1 5.2 1.0 CD2 A:HIS47 3.1 6.7 1.0 CD2 A:HIS69 3.1 7.3 1.0 CHD A:HEM74 3.4 4.6 1.0 CHB A:HEM74 3.4 6.4 1.0 CHA A:HEM74 3.4 5.6 1.0 CHC A:HEM74 3.4 5.3 1.0 ND1 A:HIS69 4.0 6.1 1.0 ND1 A:HIS47 4.1 5.4 1.0 CG A:HIS69 4.2 6.1 1.0 CG A:HIS47 4.2 5.2 1.0 C2D A:HEM74 4.2 6.4 1.0 C3C A:HEM74 4.2 6.6 1.0 C3D A:HEM74 4.2 6.2 1.0 C3B A:HEM74 4.2 6.0 1.0 C3A A:HEM74 4.2 5.3 1.0 C2A A:HEM74 4.3 5.5 1.0 C2B A:HEM74 4.3 6.5 1.0 C2C A:HEM74 4.3 6.3 1.0 ND2 A:ASN10 4.7 7.8 1.0

Iron binding site 4 out of 6 in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe72 b:5.9 occ:1.00 FE B:HEM72 0.0 5.9 1.0 NC B:HEM72 2.0 5.5 1.0 NB B:HEM72 2.0 5.2 1.0 NE2 B:HIS31 2.0 5.1 1.0 ND B:HEM72 2.0 5.1 1.0 NA B:HEM72 2.0 5.7 1.0 NE2 B:HIS17 2.0 7.8 1.0 CE1 B:HIS31 3.0 5.7 1.0 CE1 B:HIS17 3.0 8.6 1.0 C1B B:HEM72 3.0 6.3 1.0 C4C B:HEM72 3.0 5.4 1.0 CD2 B:HIS17 3.0 9.2 1.0 C4D B:HEM72 3.0 4.2 1.0 C4A B:HEM72 3.0 5.0 1.0 C1C B:HEM72 3.0 5.0 1.0 C4B B:HEM72 3.0 5.2 1.0 CD2 B:HIS31 3.0 5.4 1.0 C1D B:HEM72 3.1 5.2 1.0 C1A B:HEM72 3.1 6.0 1.0 CHB B:HEM72 3.4 6.3 1.0 CHD B:HEM72 3.4 5.8 1.0 CHA B:HEM72 3.4 5.6 1.0 CHC B:HEM72 3.4 4.5 1.0 ND1 B:HIS31 4.1 5.8 1.0 ND1 B:HIS17 4.1 8.5 1.0 CG B:HIS17 4.1 6.7 1.0 CG B:HIS31 4.2 5.3 1.0 C2B B:HEM72 4.2 6.3 1.0 C3B B:HEM72 4.2 5.6 1.0 C3C B:HEM72 4.2 5.2 1.0 C2C B:HEM72 4.3 5.2 1.0 C3D B:HEM72 4.3 6.2 1.0 C3A B:HEM72 4.3 6.7 1.0 C2D B:HEM72 4.3 6.0 1.0 C2A B:HEM72 4.3 7.7 1.0 NE2 B:GLN21 4.7 7.0 1.0

Iron binding site 5 out of 6 in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe73 b:4.7 occ:1.00 FE B:HEM73 0.0 4.7 1.0 NC B:HEM73 2.0 4.0 1.0 NB B:HEM73 2.0 4.8 1.0 ND B:HEM73 2.0 5.3 1.0 NA B:HEM73 2.0 4.6 1.0 NE2 B:HIS55 2.0 3.8 1.0 NE2 B:HIS20 2.0 3.9 1.0 CE1 B:HIS55 2.9 4.0 1.0 C1C B:HEM73 3.0 4.1 1.0 CD2 B:HIS20 3.0 3.9 1.0 C4D B:HEM73 3.0 5.2 1.0 C1D B:HEM73 3.0 7.1 1.0 C4B B:HEM73 3.0 4.1 1.0 C1A B:HEM73 3.0 6.1 1.0 C1B B:HEM73 3.0 5.5 1.0 C4A B:HEM73 3.0 5.9 1.0 C4C B:HEM73 3.0 4.4 1.0 CE1 B:HIS20 3.1 5.2 1.0 CD2 B:HIS55 3.1 5.0 1.0 CHA B:HEM73 3.4 6.3 1.0 CHC B:HEM73 3.4 4.4 1.0 CHD B:HEM73 3.4 5.2 1.0 CHB B:HEM73 3.5 4.4 1.0 ND1 B:HIS55 4.1 4.5 1.0 ND1 B:HIS20 4.2 5.2 1.0 CG B:HIS20 4.2 3.6 1.0 CG B:HIS55 4.2 4.0 1.0 C3D B:HEM73 4.2 8.7 1.0 C2C B:HEM73 4.2 4.7 1.0 C2D B:HEM73 4.3 9.8 1.0 C2B B:HEM73 4.3 5.7 1.0 C3C B:HEM73 4.3 5.3 1.0 C3A B:HEM73 4.3 6.2 1.0 C3B B:HEM73 4.3 5.0 1.0 C2A B:HEM73 4.3 7.4 1.0 CD B:PRO62 4.9 6.5 1.0 CE1 B:PHE15 4.9 5.9 1.0

Iron binding site 6 out of 6 in the Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ppcb, A Cytochrome C7 From Geobacter Sulfurreducens within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe74 b:4.0 occ:1.00 FE B:HEM74 0.0 4.0 1.0 NE2 B:HIS47 2.0 5.2 1.0 NC B:HEM74 2.0 3.7 1.0 ND B:HEM74 2.0 4.0 1.0 NA B:HEM74 2.0 4.3 1.0 NB B:HEM74 2.0 4.1 1.0 NE2 B:HIS69 2.0 4.4 1.0 CE1 B:HIS47 3.0 5.5 1.0 CE1 B:HIS69 3.0 4.4 1.0 CD2 B:HIS47 3.0 5.9 1.0 C1C B:HEM74 3.0 3.7 1.0 C4D B:HEM74 3.0 3.6 1.0 C1A B:HEM74 3.0 3.6 1.0 C4C B:HEM74 3.0 4.3 1.0 C1D B:HEM74 3.0 3.3 1.0 C4B B:HEM74 3.0 2.7 1.0 C4A B:HEM74 3.0 4.3 1.0 C1B B:HEM74 3.1 4.9 1.0 CD2 B:HIS69 3.1 6.1 1.0 CHC B:HEM74 3.4 3.2 1.0 CHA B:HEM74 3.4 3.7 1.0 CHD B:HEM74 3.4 4.1 1.0 CHB B:HEM74 3.4 4.9 1.0 ND1 B:HIS47 4.1 6.0 1.0 ND1 B:HIS69 4.1 3.6 1.0 CG B:HIS47 4.1 5.1 1.0 CG B:HIS69 4.2 4.0 1.0 C2A B:HEM74 4.2 4.7 1.0 C2C B:HEM74 4.2 4.4 1.0 C3C B:HEM74 4.2 5.0 1.0 C3A B:HEM74 4.2 4.6 1.0 C3B B:HEM74 4.2 3.7 1.0 C3D B:HEM74 4.2 6.0 1.0 C2B B:HEM74 4.3 4.7 1.0 C2D B:HEM74 4.3 5.1 1.0 ND2 B:ASN10 4.7 6.8 1.0

L.Morgado, M.Bruix, V.Orshonsky, Y.Y.Londer, N.E.Duke, X.Yang, P.R.Pokkuluri, M.Schiffer, C.A.Salgueiro. Structural Insights Into the Modulation of the Redox Properties of Two Geobacter Sulfurreducens Homologous Triheme Cytochromes. Biochim.Biophys.Acta V.1777 1157 2008.
ISSN: ISSN 0006-3002
PubMed: 18534185
DOI: 10.1016/J.BBABIO.2008.04.043