Iron in PDB 4qo5: Hypothetical Multiheme Protein

The structure of Hypothetical Multiheme Protein, PDB code: 4qo5 was solved by C.Rajendran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.73 / 1.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	136.440, 136.440, 214.900, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 20.1

The structure of Hypothetical Multiheme Protein also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Hypothetical Multiheme Protein (pdb code 4qo5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Hypothetical Multiheme Protein, PDB code: 4qo5:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:23.3 occ:1.00 FE A:HEC601 0.0 23.3 1.0 NB A:HEC601 2.0 22.9 1.0 NC A:HEC601 2.0 25.4 1.0 NA A:HEC601 2.0 20.8 1.0 ND A:HEC601 2.1 24.6 1.0 NE2 A:HIS55 2.2 21.6 1.0 NE2 A:HIS124 2.2 24.2 1.0 C4B A:HEC601 3.0 22.6 1.0 C1B A:HEC601 3.0 20.9 1.0 C4A A:HEC601 3.0 17.7 1.0 C1C A:HEC601 3.0 24.1 1.0 C4C A:HEC601 3.0 22.9 1.0 C1A A:HEC601 3.0 25.9 1.0 C1D A:HEC601 3.1 27.0 1.0 CD2 A:HIS55 3.1 22.3 1.0 C4D A:HEC601 3.1 21.0 1.0 CD2 A:HIS124 3.1 25.2 1.0 CE1 A:HIS124 3.2 29.4 1.0 CE1 A:HIS55 3.2 22.7 1.0 CHB A:HEC601 3.4 22.2 1.0 CHC A:HEC601 3.4 23.5 1.0 CHD A:HEC601 3.4 22.1 1.0 CHA A:HEC601 3.4 25.1 1.0 C3B A:HEC601 4.2 29.4 1.0 C2B A:HEC601 4.2 24.2 1.0 C3A A:HEC601 4.2 16.7 1.0 C2A A:HEC601 4.2 19.9 1.0 CG A:HIS55 4.2 19.7 1.0 C3C A:HEC601 4.3 28.4 1.0 C2C A:HEC601 4.3 25.6 1.0 ND1 A:HIS124 4.3 28.4 1.0 ND1 A:HIS55 4.3 22.4 1.0 CG A:HIS124 4.3 25.0 1.0 C2D A:HEC601 4.3 27.8 1.0 C3D A:HEC601 4.3 26.9 1.0 CD2 A:PHE125 4.8 29.0 1.0 CE2 A:PHE125 4.9 32.5 1.0

Iron binding site 2 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:19.0 occ:1.00 FE A:HEC602 0.0 19.0 1.0 NB A:HEC602 1.9 20.5 1.0 NC A:HEC602 2.0 20.2 1.0 NA A:HEC602 2.0 18.2 1.0 ND A:HEC602 2.0 17.6 1.0 NE2 A:HIS111 2.1 15.3 1.0 NE2 A:HIS250 2.1 16.4 1.0 C4B A:HEC602 2.8 14.1 1.0 C1B A:HEC602 3.0 16.4 1.0 C1C A:HEC602 3.0 17.0 1.0 CE1 A:HIS111 3.0 16.5 1.0 C4C A:HEC602 3.0 17.2 1.0 CD2 A:HIS250 3.0 19.6 1.0 C1D A:HEC602 3.0 14.5 1.0 C1A A:HEC602 3.1 17.6 1.0 C4A A:HEC602 3.1 14.5 1.0 C4D A:HEC602 3.1 16.5 1.0 CD2 A:HIS111 3.1 18.6 1.0 CE1 A:HIS250 3.1 21.0 1.0 CHC A:HEC602 3.3 18.4 1.0 CHD A:HEC602 3.4 18.0 1.0 CHA A:HEC602 3.4 15.5 1.0 CHB A:HEC602 3.5 16.9 1.0 C3B A:HEC602 4.0 16.2 1.0 ND1 A:HIS111 4.2 18.6 1.0 C2B A:HEC602 4.2 18.1 1.0 CG A:HIS250 4.2 16.7 1.0 C3C A:HEC602 4.2 19.6 1.0 ND1 A:HIS250 4.2 16.0 1.0 CG A:HIS111 4.2 18.3 1.0 C2C A:HEC602 4.2 15.4 1.0 C2A A:HEC602 4.3 17.9 1.0 C3A A:HEC602 4.3 17.0 1.0 C2D A:HEC602 4.3 15.5 1.0 C3D A:HEC602 4.3 15.0 1.0 CD A:ARG249 4.8 17.7 1.0

Iron binding site 3 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:18.1 occ:1.00 FE A:HEC603 0.0 18.1 1.0 NB A:HEC603 1.9 13.0 1.0 ND A:HEC603 2.0 14.3 1.0 NC A:HEC603 2.0 17.4 1.0 NA A:HEC603 2.0 16.4 1.0 NE2 A:HIS142 2.1 20.3 1.0 SD A:MET71 2.4 20.0 1.0 C4B A:HEC603 2.9 18.9 1.0 C1B A:HEC603 3.0 18.5 1.0 C4C A:HEC603 3.0 20.9 1.0 C1C A:HEC603 3.1 20.6 1.0 C1D A:HEC603 3.1 21.9 1.0 C4D A:HEC603 3.1 19.8 1.0 C4A A:HEC603 3.1 17.7 1.0 C1A A:HEC603 3.1 19.1 1.0 CD2 A:HIS142 3.1 20.8 1.0 CE1 A:HIS142 3.1 18.3 1.0 CHC A:HEC603 3.4 19.1 1.0 CE A:MET71 3.4 18.5 1.0 CHA A:HEC603 3.4 22.4 1.0 CG A:MET71 3.4 20.2 1.0 CHB A:HEC603 3.4 17.2 1.0 CHD A:HEC603 3.4 19.1 1.0 C3B A:HEC603 4.1 17.6 1.0 C2B A:HEC603 4.2 18.1 1.0 ND1 A:HIS142 4.2 20.3 1.0 CG A:HIS142 4.2 20.1 1.0 C3C A:HEC603 4.3 25.0 1.0 C3A A:HEC603 4.3 17.0 1.0 C2D A:HEC603 4.3 20.3 1.0 C2A A:HEC603 4.3 18.4 1.0 C2C A:HEC603 4.3 20.8 1.0 C3D A:HEC603 4.3 21.9 1.0 CB A:MET71 4.8 22.1 1.0 CMA A:HEC605 4.8 17.0 1.0

Iron binding site 4 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:22.2 occ:1.00 FE A:HEC604 0.0 22.2 1.0 NB A:HEC604 2.0 21.0 1.0 NC A:HEC604 2.0 22.7 1.0 NA A:HEC604 2.1 21.2 1.0 ND A:HEC604 2.1 22.5 1.0 NE2 A:HIS199 2.2 21.0 1.0 O A:HOH775 2.5 31.9 1.0 C4C A:HEC604 3.0 23.2 1.0 C4B A:HEC604 3.0 24.9 1.0 C1B A:HEC604 3.0 21.5 1.0 C4A A:HEC604 3.0 20.3 1.0 C1C A:HEC604 3.1 25.6 1.0 C1D A:HEC604 3.1 23.0 1.0 C1A A:HEC604 3.1 22.3 1.0 C4D A:HEC604 3.1 23.5 1.0 CE1 A:HIS199 3.2 20.4 1.0 CD2 A:HIS199 3.2 23.1 1.0 CHD A:HEC604 3.4 21.5 1.0 CHB A:HEC604 3.4 23.6 1.0 CHC A:HEC604 3.4 22.0 1.0 CHA A:HEC604 3.5 22.1 1.0 C3C A:HEC604 4.2 25.2 1.0 C3B A:HEC604 4.2 29.8 1.0 C2C A:HEC604 4.2 21.0 1.0 C2B A:HEC604 4.3 22.4 1.0 C3A A:HEC604 4.3 22.5 1.0 C2A A:HEC604 4.3 24.4 1.0 ND1 A:HIS199 4.3 19.9 1.0 C2D A:HEC604 4.3 20.2 1.0 C3D A:HEC604 4.3 20.2 1.0 CG A:HIS199 4.4 23.3 1.0 OD1 A:ASP271 4.5 35.1 1.0 CZ A:PHE345 5.0 21.8 1.0

Iron binding site 5 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:18.1 occ:1.00 FE A:HEC605 0.0 18.1 1.0 NC A:HEC605 2.0 13.2 1.0 NA A:HEC605 2.0 13.6 1.0 NB A:HEC605 2.0 15.4 1.0 ND A:HEC605 2.1 16.4 1.0 NE2 A:HIS247 2.1 17.5 1.0 NE2 A:HIS334 2.2 19.2 1.0 C4C A:HEC605 2.9 20.6 1.0 C4A A:HEC605 3.0 17.6 1.0 C4B A:HEC605 3.0 15.8 1.0 CD2 A:HIS334 3.0 20.4 1.0 C1B A:HEC605 3.0 19.4 1.0 C1A A:HEC605 3.0 18.5 1.0 C1C A:HEC605 3.1 17.6 1.0 C4D A:HEC605 3.1 15.3 1.0 CD2 A:HIS247 3.1 15.7 1.0 C1D A:HEC605 3.1 18.0 1.0 CE1 A:HIS247 3.1 18.6 1.0 CE1 A:HIS334 3.2 24.4 1.0 CHB A:HEC605 3.4 20.4 1.0 CHD A:HEC605 3.4 18.8 1.0 CHA A:HEC605 3.5 16.3 1.0 CHC A:HEC605 3.5 13.3 1.0 C3C A:HEC605 4.1 16.6 1.0 C3B A:HEC605 4.2 19.4 1.0 C3A A:HEC605 4.2 16.6 1.0 CG A:HIS334 4.2 22.1 1.0 ND1 A:HIS247 4.2 17.3 1.0 C2A A:HEC605 4.2 15.0 1.0 C2B A:HEC605 4.2 19.5 1.0 CG A:HIS247 4.2 15.0 1.0 C2C A:HEC605 4.2 17.8 1.0 ND1 A:HIS334 4.3 20.7 1.0 C2D A:HEC605 4.3 17.2 1.0 C3D A:HEC605 4.3 14.1 1.0

Iron binding site 6 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe606 b:19.0 occ:1.00 FE A:HEC606 0.0 19.0 1.0 NB A:HEC606 2.0 22.0 1.0 NC A:HEC606 2.0 16.4 1.0 NA A:HEC606 2.0 18.0 1.0 ND A:HEC606 2.1 24.4 1.0 NE2 A:HIS267 2.1 17.3 1.0 NZ A:LYS154 2.2 20.5 1.0 C4C A:HEC606 3.0 21.9 1.0 C4B A:HEC606 3.0 22.8 1.0 C1B A:HEC606 3.0 22.8 1.0 C1C A:HEC606 3.0 16.0 1.0 C1A A:HEC606 3.1 19.2 1.0 CE1 A:HIS267 3.1 19.5 1.0 C4A A:HEC606 3.1 21.4 1.0 C1D A:HEC606 3.1 20.2 1.0 C4D A:HEC606 3.1 24.2 1.0 CE A:LYS154 3.2 19.1 1.0 CD2 A:HIS267 3.2 20.8 1.0 CHD A:HEC606 3.4 23.3 1.0 CHC A:HEC606 3.4 19.2 1.0 CHB A:HEC606 3.4 20.9 1.0 CHA A:HEC606 3.5 19.2 1.0 ND1 A:HIS267 4.2 17.9 1.0 C3C A:HEC606 4.2 22.7 1.0 C3B A:HEC606 4.2 20.0 1.0 C2B A:HEC606 4.3 21.4 1.0 CG A:HIS267 4.3 17.5 1.0 C2C A:HEC606 4.3 16.2 1.0 C2A A:HEC606 4.3 17.3 1.0 C3A A:HEC606 4.3 22.0 1.0 C2D A:HEC606 4.3 21.3 1.0 C3D A:HEC606 4.4 19.6 1.0 CD A:LYS154 4.4 19.3 1.0 CMD A:HEC604 4.7 23.3 1.0 CG A:LYS154 4.8 20.8 1.0

Iron binding site 7 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe607 b:18.1 occ:1.00 FE A:HEC607 0.0 18.1 1.0 NC A:HEC607 1.9 21.7 1.0 NB A:HEC607 2.0 15.8 1.0 NA A:HEC607 2.0 23.6 1.0 ND A:HEC607 2.1 17.0 1.0 NE2 A:HIS316 2.1 18.6 1.0 SD A:MET514 2.4 18.1 1.0 C4C A:HEC607 2.9 17.0 1.0 C4B A:HEC607 2.9 15.9 1.0 C1C A:HEC607 3.0 18.1 1.0 C1B A:HEC607 3.0 18.4 1.0 C4A A:HEC607 3.0 20.1 1.0 C1D A:HEC607 3.0 19.1 1.0 C1A A:HEC607 3.0 21.5 1.0 C4D A:HEC607 3.1 17.8 1.0 CE1 A:HIS316 3.1 20.5 1.0 CD2 A:HIS316 3.1 18.0 1.0 CHD A:HEC607 3.4 19.2 1.0 CG A:MET514 3.4 15.3 1.0 CHC A:HEC607 3.4 19.2 1.0 CHB A:HEC607 3.4 18.3 1.0 CHA A:HEC607 3.4 17.6 1.0 CE A:MET514 3.5 14.8 1.0 C3B A:HEC607 4.1 22.1 1.0 C3C A:HEC607 4.1 28.6 1.0 C2B A:HEC607 4.2 17.9 1.0 ND1 A:HIS316 4.2 21.5 1.0 C2C A:HEC607 4.2 18.7 1.0 C2A A:HEC607 4.2 20.7 1.0 C3A A:HEC607 4.2 21.8 1.0 CG A:HIS316 4.3 19.2 1.0 C2D A:HEC607 4.3 18.6 1.0 C3D A:HEC607 4.3 17.1 1.0 CB A:MET514 4.8 15.2 1.0

Iron binding site 8 out of 8 in the Hypothetical Multiheme Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Hypothetical Multiheme Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe608 b:19.7 occ:1.00 FE A:HEC608 0.0 19.7 1.0 NC A:HEC608 1.9 20.7 1.0 NA A:HEC608 2.0 17.8 1.0 ND A:HEC608 2.0 17.6 1.0 NB A:HEC608 2.0 19.3 1.0 NE2 A:HIS283 2.1 18.2 1.0 NE2 A:HIS439 2.1 20.7 1.0 C4C A:HEC608 2.9 17.2 1.0 C1C A:HEC608 3.0 16.6 1.0 C1D A:HEC608 3.0 16.6 1.0 C4D A:HEC608 3.0 18.2 1.0 C4B A:HEC608 3.0 20.3 1.0 C4A A:HEC608 3.1 20.2 1.0 C1A A:HEC608 3.1 17.2 1.0 C1B A:HEC608 3.1 20.7 1.0 CD2 A:HIS283 3.1 21.8 1.0 CD2 A:HIS439 3.1 20.0 1.0 CE1 A:HIS439 3.1 19.2 1.0 CE1 A:HIS283 3.1 19.7 1.0 CHD A:HEC608 3.4 21.2 1.0 CHC A:HEC608 3.4 16.8 1.0 CHA A:HEC608 3.4 18.4 1.0 CHB A:HEC608 3.5 19.4 1.0 C3C A:HEC608 4.2 18.1 1.0 C2C A:HEC608 4.2 17.1 1.0 ND1 A:HIS439 4.2 17.6 1.0 CG A:HIS283 4.2 16.9 1.0 ND1 A:HIS283 4.2 18.5 1.0 CG A:HIS439 4.2 17.9 1.0 C3B A:HEC608 4.3 20.3 1.0 C3A A:HEC608 4.3 18.6 1.0 C3D A:HEC608 4.3 14.7 1.0 C2B A:HEC608 4.3 26.4 1.0 C2A A:HEC608 4.3 21.1 1.0 C2D A:HEC608 4.3 16.4 1.0 O A:HOH747 4.9 22.0 1.0

K.Parey, A.J.Fielding, M.Sorgel, R.Rachel, H.Huber, C.Ziegler, C.Rajendran. In Meso Crystal Structure of A Novel Membrane-Associated Octaheme Cytochrome C From the Crenarchaeon Ignicoccus Hospitalis. Febs J. V. 283 3807 2016.
ISSN: ISSN 1742-464X
PubMed: 27586496
DOI: 10.1111/FEBS.13870