Iron in PDB 6hr0: Optimizing Electroactive Organisms: the Effect of Orthologous Proteins

The structure of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins, PDB code: 6hr0 was solved by I.B.Trindade, E.Moe, P.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.27 / 1.04
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.171, 66.171, 43.236, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.8

The binding sites of Iron atom in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins (pdb code 6hr0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins, PDB code: 6hr0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:8.7 occ:1.00 FE A:HEC101 0.0 8.7 1.0 NC A:HEC101 2.0 8.6 1.0 NE2 A:HIS62 2.0 8.5 1.0 NE2 A:HIS49 2.0 10.0 1.0 NA A:HEC101 2.0 9.3 1.0 NB A:HEC101 2.0 9.0 1.0 ND A:HEC101 2.0 9.4 1.0 CE1 A:HIS62 3.0 8.9 1.0 CE1 A:HIS49 3.0 11.3 1.0 CD2 A:HIS49 3.0 10.6 1.0 C4C A:HEC101 3.0 8.4 1.0 CD2 A:HIS62 3.0 9.1 1.0 C4A A:HEC101 3.0 9.3 1.0 C1B A:HEC101 3.0 9.2 1.0 C1D A:HEC101 3.0 9.0 1.0 C1C A:HEC101 3.0 8.4 1.0 C1A A:HEC101 3.0 10.9 1.0 C4D A:HEC101 3.0 10.5 1.0 C4B A:HEC101 3.1 8.6 1.0 HE1 A:HIS62 3.1 10.7 1.0 HE1 A:HIS49 3.2 13.6 1.0 HD2 A:HIS49 3.2 12.7 1.0 HD2 A:HIS62 3.2 11.0 1.0 CHD A:HEC101 3.4 8.8 1.0 CHB A:HEC101 3.4 9.3 1.0 CHC A:HEC101 3.4 8.5 1.0 CHA A:HEC101 3.5 11.8 1.0 ND1 A:HIS62 4.1 9.5 1.0 ND1 A:HIS49 4.1 11.7 1.0 HE1 A:MET45 4.1 17.8 1.0 CG A:HIS49 4.1 11.1 1.0 CG A:HIS62 4.1 9.1 1.0 C3C A:HEC101 4.2 8.6 1.0 C2D A:HEC101 4.2 10.3 1.0 C3A A:HEC101 4.2 10.1 1.0 C2C A:HEC101 4.2 9.1 1.0 C3D A:HEC101 4.3 11.9 1.0 C2B A:HEC101 4.3 9.5 1.0 C2A A:HEC101 4.3 12.1 1.0 C3B A:HEC101 4.3 9.1 1.0 HMA1 A:HEC104 4.4 11.3 1.0 HHD A:HEC101 4.5 10.6 1.0 HHB A:HEC101 4.5 11.2 1.0 HG2 A:PRO73 4.5 13.6 1.0 HHC A:HEC101 4.5 10.2 1.0 HHA A:HEC101 4.5 14.2 1.0 HE2 A:MET45 4.7 17.8 1.0 CE A:MET45 4.8 14.8 1.0 HD1 A:HIS62 4.9 11.4 1.0 HD1 A:HIS49 4.9 14.0 1.0

Iron binding site 2 out of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:7.9 occ:1.00 FE A:HEC102 0.0 7.9 1.0 NA A:HEC102 2.0 8.6 1.0 NE2 A:HIS52 2.0 8.3 1.0 NC A:HEC102 2.0 8.0 1.0 NE2 A:HIS79 2.0 8.1 1.0 ND A:HEC102 2.0 8.1 1.0 NB A:HEC102 2.0 8.1 1.0 CE1 A:HIS79 3.0 8.1 1.0 CE1 A:HIS52 3.0 8.9 1.0 C1C A:HEC102 3.0 7.8 1.0 C4C A:HEC102 3.0 8.3 1.0 C4A A:HEC102 3.0 8.3 1.0 C1A A:HEC102 3.0 9.2 1.0 CD2 A:HIS79 3.0 7.9 1.0 CD2 A:HIS52 3.0 8.9 1.0 C1D A:HEC102 3.0 8.7 1.0 C4D A:HEC102 3.0 8.5 1.0 C1B A:HEC102 3.0 8.4 1.0 C4B A:HEC102 3.0 8.1 1.0 HE1 A:HIS79 3.2 9.7 1.0 HE1 A:HIS52 3.2 10.7 1.0 HD2 A:HIS79 3.2 9.5 1.0 HD2 A:HIS52 3.2 10.6 1.0 CHA A:HEC102 3.4 9.1 1.0 CHB A:HEC102 3.4 8.8 1.0 CHC A:HEC102 3.4 8.2 1.0 CHD A:HEC102 3.4 8.7 1.0 ND1 A:HIS52 4.1 10.3 1.0 ND1 A:HIS79 4.1 7.9 1.0 HBC1 A:HEC101 4.1 11.2 1.0 CG A:HIS79 4.2 7.8 1.0 CG A:HIS52 4.2 9.8 1.0 C3A A:HEC102 4.2 9.5 1.0 C2A A:HEC102 4.2 9.5 1.0 C3C A:HEC102 4.2 8.8 1.0 C2D A:HEC102 4.2 9.3 1.0 C2C A:HEC102 4.2 8.4 1.0 C3B A:HEC102 4.3 8.4 1.0 C2B A:HEC102 4.3 9.1 1.0 C3D A:HEC102 4.3 9.4 1.0 HH11 A:ARG83 4.4 11.2 1.0 HD2 A:ARG83 4.4 11.1 1.0 HHA A:HEC102 4.5 10.9 1.0 HHC A:HEC102 4.5 9.8 1.0 HHB A:HEC102 4.5 10.6 1.0 HHD A:HEC102 4.5 10.4 1.0 HD11 A:LEU56 4.5 12.3 1.0 HBC2 A:HEC101 4.9 11.2 1.0 CBC A:HEC101 4.9 9.3 1.0 HD1 A:HIS52 4.9 12.4 1.0 HD1 A:HIS79 4.9 9.4 1.0 NH1 A:ARG83 5.0 9.3 1.0 HBC3 A:HEC101 5.0 11.2 1.0 HB2 A:CYS78 5.0 10.8 1.0

Iron binding site 3 out of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe103 b:13.9 occ:1.00 FE A:HEC103 0.0 13.9 1.0 NA A:HEC103 2.0 14.7 1.0 NE2 A:HIS19 2.0 14.6 1.0 ND A:HEC103 2.0 13.3 1.0 NB A:HEC103 2.0 15.2 1.0 NC A:HEC103 2.0 13.2 1.0 NE2 A:HIS65 2.0 13.7 1.0 CE1 A:HIS65 3.0 14.3 1.0 C4A A:HEC103 3.0 15.3 1.0 CE1 A:HIS19 3.0 15.7 1.0 CD2 A:HIS19 3.0 15.6 1.0 C1C A:HEC103 3.0 13.7 1.0 C4C A:HEC103 3.0 12.0 1.0 C4B A:HEC103 3.0 16.6 1.0 C1B A:HEC103 3.0 16.7 1.0 C1A A:HEC103 3.0 15.0 1.0 C1D A:HEC103 3.0 12.8 1.0 CD2 A:HIS65 3.0 14.1 1.0 C4D A:HEC103 3.0 13.9 1.0 HE1 A:HIS65 3.2 17.2 1.0 HD2 A:HIS19 3.2 18.7 1.0 HE1 A:HIS19 3.2 18.8 1.0 HD2 A:HIS65 3.2 16.9 1.0 CHB A:HEC103 3.4 16.4 1.0 CHC A:HEC103 3.4 15.7 1.0 CHD A:HEC103 3.4 12.1 1.0 CHA A:HEC103 3.4 14.9 1.0 ND1 A:HIS65 4.1 14.4 1.0 ND1 A:HIS19 4.1 15.9 1.0 CG A:HIS19 4.1 16.1 1.0 CG A:HIS65 4.2 13.4 1.0 C3A A:HEC103 4.2 16.4 1.0 C2A A:HEC103 4.2 16.6 1.0 C2C A:HEC103 4.2 13.5 1.0 C3B A:HEC103 4.2 18.7 1.0 C3C A:HEC103 4.2 12.5 1.0 C2B A:HEC103 4.2 18.3 1.0 C2D A:HEC103 4.3 13.0 1.0 C3D A:HEC103 4.3 13.7 1.0 HHB A:HEC103 4.5 19.7 1.0 HHC A:HEC103 4.5 18.8 1.0 HHD A:HEC103 4.5 14.6 1.0 HHA A:HEC103 4.5 17.9 1.0 HB2 A:SER6 4.6 15.1 1.0 HB3 A:PRO24 4.6 27.1 1.0 HB3 A:SER6 4.8 15.1 1.0 HD1 A:HIS65 4.9 17.2 1.0 HD1 A:HIS19 4.9 19.1 1.0 HB2 A:PRO64 5.0 14.5 1.0 HB2 A:CYS18 5.0 17.3 1.0

Iron binding site 4 out of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe104 b:8.1 occ:1.00 FE A:HEC104 0.0 8.1 1.0 NE2 A:HIS39 2.0 8.3 1.0 NC A:HEC104 2.0 9.0 1.0 ND A:HEC104 2.0 8.2 1.0 NB A:HEC104 2.0 8.6 1.0 NE2 A:HIS9 2.0 9.0 1.0 NA A:HEC104 2.0 8.5 1.0 CE1 A:HIS39 2.9 8.5 1.0 CE1 A:HIS9 3.0 8.8 1.0 C1D A:HEC104 3.0 8.7 1.0 C1B A:HEC104 3.0 8.5 1.0 C4B A:HEC104 3.0 9.0 1.0 C4D A:HEC104 3.0 8.5 1.0 C4A A:HEC104 3.0 8.4 1.0 C4C A:HEC104 3.0 9.1 1.0 C1C A:HEC104 3.0 9.1 1.0 C1A A:HEC104 3.0 8.4 1.0 CD2 A:HIS39 3.1 8.8 1.0 CD2 A:HIS9 3.1 9.1 1.0 HE1 A:HIS39 3.1 10.2 1.0 HE1 A:HIS9 3.1 10.5 1.0 HD2 A:HIS9 3.3 10.9 1.0 HD2 A:HIS39 3.3 10.5 1.0 CHB A:HEC104 3.4 8.8 1.0 CHC A:HEC104 3.4 9.6 1.0 CHD A:HEC104 3.4 9.8 1.0 CHA A:HEC104 3.4 8.8 1.0 ND1 A:HIS39 4.1 8.3 1.0 ND1 A:HIS9 4.1 9.6 1.0 CG A:HIS39 4.2 9.1 1.0 CG A:HIS9 4.2 9.5 1.0 C2D A:HEC104 4.2 9.4 1.0 C2C A:HEC104 4.2 10.0 1.0 C3B A:HEC104 4.2 9.5 1.0 C2B A:HEC104 4.2 9.2 1.0 C3D A:HEC104 4.2 9.0 1.0 C3C A:HEC104 4.3 9.6 1.0 C3A A:HEC104 4.3 8.8 1.0 C2A A:HEC104 4.3 8.8 1.0 HHB A:HEC104 4.5 10.5 1.0 HHC A:HEC104 4.5 11.5 1.0 HHD A:HEC104 4.5 11.8 1.0 HHA A:HEC104 4.5 10.5 1.0 HBC1 A:HEC103 4.7 13.9 1.0 HE1 A:MET12 4.8 15.1 1.0 HMB1 A:HEC101 4.8 12.9 1.0 HD1 A:HIS39 4.8 9.9 1.0 HB2 A:CYS38 4.9 13.0 1.0 HD1 A:HIS9 4.9 11.6 1.0 HD11 A:LEU5 4.9 11.4 1.0

B.M.Fonseca, L.Silva, I.B.Trindade, E.Moe, P.M.Matias, R.O.Louro, C.M.Paquete. Optimizing Electroactive Organisms: the Effect of Orthologous Proteins Frontiers in Energy Research 2019.
ISSN: ISSN 2296-598X
DOI: 10.3389/FENRG.2019.00002