Iron in PDB 7bha: Escherichia Coli Ytfe

The structure of Escherichia Coli Ytfe, PDB code: 7bha was solved by L.S.O.Silva, P.M.Matias, C.V.Romao, L.M.Saraiva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.05 / 2.19
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.061, 50.647, 87.847, 90, 100.54, 90
R / Rfree (%)	21.2 / 25

The binding sites of Iron atom in the Escherichia Coli Ytfe (pdb code 7bha). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Escherichia Coli Ytfe, PDB code: 7bha:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Escherichia Coli Ytfe


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Escherichia Coli Ytfe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.9 occ:1.00 O A:O303 2.0 40.8 1.0 OE2 A:GLU208 2.1 25.5 1.0 OE1 A:GLU133 2.1 28.8 1.0 NE2 A:HIS204 2.2 28.0 1.0 NE2 A:HIS84 2.2 27.0 1.0 HE1 A:HIS204 2.7 29.0 1.0 CE1 A:HIS204 2.7 24.0 1.0 FE A:FE302 2.8 46.2 1.0 CD A:GLU208 3.0 31.0 1.0 CE1 A:HIS84 3.1 29.4 1.0 CD A:GLU133 3.1 40.5 1.0 HE1 A:HIS84 3.2 35.4 1.0 OE1 A:GLU208 3.2 35.2 1.0 CD2 A:HIS84 3.2 24.8 1.0 CD2 A:HIS204 3.4 33.2 1.0 OE2 A:GLU133 3.4 39.9 1.0 HD2 A:HIS84 3.5 29.9 1.0 HG21 A:ILE79 3.5 29.8 1.0 HZ A:PHE138 3.6 28.0 1.0 HG2 A:MET130 3.7 42.1 1.0 HD2 A:HIS204 3.8 40.0 1.0 ND1 A:HIS204 4.0 26.9 1.0 HG22 A:ILE79 4.0 29.8 1.0 HD2 A:HIS129 4.1 36.9 1.0 CG2 A:ILE79 4.1 24.7 1.0 HG23 A:ILE79 4.1 29.8 1.0 NE2 A:HIS129 4.1 30.3 1.0 ND1 A:HIS84 4.2 28.9 1.0 CG A:HIS204 4.3 21.8 1.0 CG A:HIS84 4.3 28.5 1.0 CG A:GLU208 4.3 22.4 1.0 HA A:MET130 4.3 39.7 1.0 CZ A:PHE138 4.4 23.2 1.0 HB2 A:GLU133 4.4 27.8 1.0 CD2 A:HIS129 4.4 30.6 1.0 CG A:GLU133 4.4 34.4 1.0 HG3 A:GLU208 4.5 27.0 1.0 HB3 A:GLU133 4.6 27.8 1.0 HE2 A:PHE138 4.6 40.6 1.0 HG2 A:GLU208 4.6 27.0 1.0 CG A:MET130 4.6 35.0 1.0 HD1 A:HIS204 4.7 32.5 1.0 CB A:GLU133 4.7 23.1 1.0 NE2 A:HIS160 4.8 29.2 1.0 HG3 A:GLU133 4.9 41.5 1.0 CE2 A:PHE138 4.9 33.7 1.0 HD13 A:ILE79 4.9 40.0 1.0 HD1 A:HIS84 5.0 34.9 1.0

Iron binding site 2 out of 4 in the Escherichia Coli Ytfe


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Escherichia Coli Ytfe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:46.2 occ:1.00 OE2 A:GLU133 2.0 39.9 1.0 O A:O303 2.0 40.8 1.0 OE1 A:GLU208 2.1 35.2 1.0 NE2 A:HIS160 2.1 29.2 1.0 NE2 A:HIS129 2.2 30.3 1.0 CD A:GLU133 2.7 40.5 1.0 FE A:FE301 2.8 41.9 1.0 OE1 A:GLU133 2.9 28.8 1.0 CD A:GLU208 3.0 31.0 1.0 CE1 A:HIS129 3.1 35.4 1.0 CE1 A:HIS160 3.1 31.6 1.0 CD2 A:HIS160 3.1 29.6 1.0 CD2 A:HIS129 3.2 30.6 1.0 HE1 A:HIS129 3.2 42.6 1.0 HE1 A:HIS160 3.2 38.1 1.0 OE2 A:GLU208 3.2 25.5 1.0 HD2 A:HIS160 3.3 35.6 1.0 HD2 A:HIS129 3.4 36.9 1.0 NE2 A:HIS204 4.0 28.0 1.0 CG A:GLU133 4.1 34.4 1.0 HG3 A:GLU133 4.2 41.5 1.0 ND1 A:HIS160 4.2 36.9 1.0 ND1 A:HIS129 4.2 29.7 1.0 CG A:HIS160 4.3 36.2 1.0 HZ A:PHE213 4.3 37.7 1.0 CG A:HIS129 4.3 26.2 1.0 HE1 A:HIS204 4.3 29.0 1.0 CE1 A:HIS204 4.4 24.0 1.0 HB3 A:MET156 4.4 34.3 1.0 CG A:GLU208 4.4 22.4 1.0 HG12 A:ILE205 4.4 45.1 1.0 HG2 A:GLU133 4.5 41.5 1.0 HB2 A:GLU208 4.5 27.1 1.0 HB3 A:GLU208 4.6 27.1 1.0 CB A:GLU208 4.8 22.4 1.0 HA A:ILE205 4.8 35.9 1.0 CD2 A:HIS204 4.8 33.2 1.0 HG3 A:GLU208 4.8 27.0 1.0 NE2 A:HIS84 4.9 27.0 1.0 HG2 A:GLU208 5.0 27.0 1.0 HD1 A:HIS160 5.0 44.4 1.0 HD1 A:HIS129 5.0 35.8 1.0

Iron binding site 3 out of 4 in the Escherichia Coli Ytfe


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Escherichia Coli Ytfe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:50.0 occ:1.00 OE2 B:GLU208 2.0 37.6 1.0 O B:O303 2.1 44.3 1.0 OE1 B:GLU133 2.1 34.2 1.0 NE2 B:HIS84 2.2 40.2 1.0 NE2 B:HIS204 2.2 37.5 1.0 HE1 B:HIS204 2.7 46.7 1.0 CE1 B:HIS204 2.7 38.8 1.0 FE B:FE302 2.8 56.6 1.0 CD B:GLU208 2.9 43.7 1.0 CE1 B:HIS84 3.1 37.0 1.0 CD B:GLU133 3.1 46.4 1.0 HE1 B:HIS84 3.1 44.5 1.0 OE1 B:GLU208 3.2 43.2 1.0 CD2 B:HIS84 3.3 39.5 1.0 CD2 B:HIS204 3.5 43.1 1.0 OE2 B:GLU133 3.5 46.8 1.0 HD2 B:HIS84 3.5 47.5 1.0 HZ B:PHE138 3.5 43.5 1.0 HG21 B:ILE79 3.6 43.9 1.0 HG2 B:MET130 3.6 52.5 1.0 HD2 B:HIS204 3.9 51.9 1.0 HD2 B:HIS129 3.9 45.4 1.0 HG22 B:ILE79 3.9 43.9 1.0 ND1 B:HIS204 4.0 35.8 1.0 CG2 B:ILE79 4.1 36.5 1.0 NE2 B:HIS129 4.1 37.3 1.0 HG23 B:ILE79 4.2 43.9 1.0 ND1 B:HIS84 4.2 44.5 1.0 CZ B:PHE138 4.3 36.1 1.0 HA B:MET130 4.3 46.5 1.0 CG B:GLU208 4.3 39.4 1.0 CD2 B:HIS129 4.3 37.7 1.0 CG B:HIS84 4.3 40.9 1.0 CG B:HIS204 4.4 31.7 1.0 HB2 B:GLU133 4.4 38.8 1.0 HG3 B:GLU208 4.4 47.5 1.0 CG B:GLU133 4.5 41.7 1.0 HB3 B:GLU133 4.5 38.8 1.0 HE2 B:PHE138 4.5 46.3 1.0 CG B:MET130 4.6 43.6 1.0 HG2 B:GLU208 4.6 47.5 1.0 HD1 B:HIS204 4.7 43.1 1.0 CB B:GLU133 4.7 32.2 1.0 CE2 B:PHE138 4.8 38.5 1.0 NE2 B:HIS160 4.8 45.8 1.0 HG3 B:GLU133 4.9 50.2 1.0 HD1 B:HIS84 5.0 53.6 1.0 HD13 B:ILE79 5.0 58.4 1.0

Iron binding site 4 out of 4 in the Escherichia Coli Ytfe


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Escherichia Coli Ytfe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:56.6 occ:1.00 OE2 B:GLU133 2.0 46.8 1.0 OE1 B:GLU208 2.0 43.2 1.0 O B:O303 2.1 44.3 1.0 NE2 B:HIS160 2.1 45.8 1.0 NE2 B:HIS129 2.1 37.3 1.0 CD B:GLU133 2.7 46.4 1.0 FE B:FE301 2.8 50.0 1.0 OE1 B:GLU133 2.9 34.2 1.0 CD B:GLU208 2.9 43.7 1.0 CE1 B:HIS160 3.0 43.7 1.0 CE1 B:HIS129 3.1 44.0 1.0 CD2 B:HIS129 3.1 37.7 1.0 CD2 B:HIS160 3.1 41.4 1.0 HE1 B:HIS160 3.2 52.6 1.0 OE2 B:GLU208 3.2 37.6 1.0 HE1 B:HIS129 3.3 52.9 1.0 HD2 B:HIS129 3.3 45.4 1.0 HD2 B:HIS160 3.4 49.8 1.0 NE2 B:HIS204 4.0 37.5 1.0 CG B:GLU133 4.1 41.7 1.0 ND1 B:HIS160 4.2 45.2 1.0 HZ B:PHE213 4.2 47.5 1.0 HG3 B:GLU133 4.2 50.2 1.0 ND1 B:HIS129 4.2 33.0 1.0 CG B:HIS160 4.3 48.5 1.0 CG B:HIS129 4.3 28.6 1.0 HE1 B:HIS204 4.3 46.7 1.0 CG B:GLU208 4.3 39.4 1.0 HG12 B:ILE205 4.3 56.5 1.0 CE1 B:HIS204 4.4 38.8 1.0 HB3 B:MET156 4.4 54.9 1.0 HB2 B:GLU208 4.5 45.2 1.0 HG2 B:GLU133 4.5 50.2 1.0 HB3 B:GLU208 4.6 45.2 1.0 HG3 B:GLU208 4.7 47.5 1.0 CB B:GLU208 4.8 37.6 1.0 HA B:ILE205 4.8 50.2 1.0 CD2 B:HIS204 4.9 43.1 1.0 HD1 B:HIS160 4.9 54.4 1.0 NE2 B:HIS84 4.9 40.2 1.0 HG2 B:GLU208 4.9 47.5 1.0 CZ B:PHE213 5.0 39.5 1.0 HE2 B:PHE213 5.0 53.1 1.0

L.S.O.Silva, P.M.Matias, C.V.Romao, L.M.Saraiva. Escherichia Coli Ytfe Front Microbiol 2021.
ISSN: ESSN 1664-302X
DOI: 10.3389/FMICB.2021.670681