Iron in PDB 5lld: Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form.

The structure of Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form., PDB code: 5lld was solved by C.V.Romao, P.T.Borges, J.B.Vicente, M.A.Carrondo, M.Teixeira, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.29 / 2.65
Space group	P 6 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.700, 151.700, 96.500, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 24.6

The binding sites of Iron atom in the Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form. (pdb code 5lld). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form., PDB code: 5lld:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:21.8 occ:1.00 NE2 A:HIS84 2.0 28.4 1.0 OD1 A:ASP166 2.2 28.1 1.0 NE2 A:HIS227 2.3 24.3 1.0 OD2 A:ASP83 2.3 46.0 1.0 O1 A:OXY503 2.6 50.1 1.0 CE1 A:HIS84 2.9 29.7 1.0 CG A:ASP166 3.0 28.8 1.0 CD2 A:HIS84 3.0 31.4 1.0 CD2 A:HIS227 3.1 17.2 1.0 OD2 A:ASP166 3.1 35.9 1.0 FE A:FE502 3.3 24.5 1.0 CE1 A:HIS227 3.3 23.8 1.0 O2 A:OXY503 3.3 56.2 1.0 CG A:ASP83 3.3 43.2 1.0 OD1 A:ASP83 3.7 57.3 1.0 ND1 A:HIS84 4.0 38.2 1.0 CG A:HIS84 4.1 33.3 1.0 CG A:HIS227 4.3 16.4 1.0 ND1 A:HIS227 4.4 22.2 1.0 CB A:ASP166 4.4 11.6 1.0 OG A:SER226 4.5 24.0 1.0 CB A:ASP83 4.6 28.4 1.0 CD2 A:HIS79 4.7 22.1 1.0 ND2 A:ASN165 4.9 26.9 1.0 NE2 A:HIS147 4.9 36.2 1.0 OH A:TYR194 4.9 89.9 1.0 CA A:ASP166 5.0 15.3 1.0

Iron binding site 2 out of 2 in the Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Flavodiiron Core of Escherichia Coli Flavorubredoxin in the Reduced Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:24.5 occ:1.00 NE2 A:HIS147 2.0 36.2 1.0 OD2 A:ASP166 2.1 35.9 1.0 NE2 A:HIS79 2.5 30.8 1.0 OE1 A:GLU81 2.5 40.0 1.0 CE1 A:HIS147 2.8 35.9 1.0 CD2 A:HIS79 2.8 22.1 1.0 CG A:ASP166 3.2 28.8 1.0 CD2 A:HIS147 3.2 31.7 1.0 FE A:FE501 3.3 21.8 1.0 CD A:GLU81 3.4 42.5 1.0 O1 A:OXY503 3.4 50.1 1.0 OD1 A:ASP166 3.7 28.1 1.0 CE1 A:HIS79 3.8 37.9 1.0 O2 A:OXY503 3.8 56.2 1.0 ND1 A:HIS147 4.0 26.4 1.0 OE2 A:GLU81 4.0 35.5 1.0 CB A:GLU81 4.0 34.9 1.0 CG A:HIS79 4.1 22.6 1.0 CG A:HIS147 4.2 20.4 1.0 CG A:GLU81 4.3 40.6 1.0 NE2 A:HIS84 4.3 28.4 1.0 CD2 A:HIS84 4.3 31.4 1.0 OD1 A:ASP83 4.4 57.3 1.0 CB A:ASP166 4.5 11.6 1.0 OD2 A:ASP83 4.5 46.0 1.0 ND1 A:HIS79 4.6 36.3 1.0 CG A:ASP83 4.9 43.2 1.0 ND2 A:ASN165 4.9 26.9 1.0

C.V.Romao, J.B.Vicente, P.T.Borges, B.L.Victor, P.Lamosa, E.Silva, L.Pereira, T.M.Bandeiras, C.M.Soares, M.A.Carrondo, D.Turner, M.Teixeira, C.Frazao. Structure of Escherichia Coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol. V. 428 4686 2016.
ISSN: ESSN 1089-8638
PubMed: 27725182
DOI: 10.1016/J.JMB.2016.10.008