Iron in PDB 8w1q: Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa

All present enzymatic activity of Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa:
1.3.3.11;

The structure of Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa, PDB code: 8w1q was solved by M.E.Walker, T.L.Grove, B.Li, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.57 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.461, 83.551, 68.829, 90, 97.7, 90
R / Rfree (%)	17.6 / 20.8

The structure of Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Magnesium	(Mg)	1 atom

The binding sites of Iron atom in the Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa (pdb code 8w1q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa, PDB code: 8w1q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:20.7 occ:0.72 OE1 A:GLU181 2.2 16.3 1.0 NE2 A:HIS274 2.2 17.4 1.0 O A:HOH693 2.2 16.3 1.0 ND1 A:HIS191 2.2 16.3 1.0 O A:HOH551 2.3 15.7 1.0 O A:HOH540 2.3 20.2 1.0 CE1 A:HIS191 3.0 13.5 1.0 CE1 A:HIS274 3.1 14.6 1.0 CD A:GLU181 3.1 18.0 1.0 CD2 A:HIS274 3.3 18.1 1.0 CG A:HIS191 3.3 16.4 1.0 OE2 A:GLU181 3.4 18.1 1.0 CB A:HIS191 3.8 12.7 1.0 OE1 A:GLU244 4.1 32.9 1.0 ND1 A:HIS274 4.2 15.9 1.0 NE2 A:HIS191 4.2 17.4 1.0 OH A:TYR177 4.3 22.6 1.0 O A:HOH568 4.3 34.6 1.0 CG A:HIS274 4.3 22.7 1.0 CD2 A:HIS191 4.4 20.0 1.0 CG A:GLU181 4.5 16.9 1.0 O A:HOH700 4.5 20.6 1.0 CB A:GLU181 4.7 15.1 1.0 CE1 A:TYR177 4.7 20.1 1.0 CA A:GLU181 4.7 15.7 1.0 CZ A:TYR177 4.9 21.3 1.0 OH A:TYR270 5.0 22.5 1.0

Iron binding site 2 out of 2 in the Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Aerobic Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:25.5 occ:0.92 OE1 B:GLU181 2.2 16.0 1.0 ND1 B:HIS191 2.2 18.3 1.0 NE2 B:HIS274 2.3 30.0 1.0 O B:HOH501 2.3 22.3 1.0 O B:HOH650 2.3 22.8 1.0 O B:HOH526 2.3 21.9 1.0 CE1 B:HIS191 3.0 22.5 1.0 CD B:GLU181 3.1 16.7 1.0 CD2 B:HIS274 3.2 37.2 1.0 CE1 B:HIS274 3.2 34.6 1.0 CG B:HIS191 3.3 17.7 1.0 OE2 B:GLU181 3.4 18.2 1.0 CB B:HIS191 3.8 18.0 1.0 OE2 B:GLU244 4.1 43.1 1.0 NE2 B:HIS191 4.2 23.7 1.0 ND1 B:HIS274 4.3 31.6 1.0 CG B:HIS274 4.3 34.9 1.0 CD2 B:HIS191 4.4 21.2 1.0 CG B:GLU181 4.4 19.0 1.0 CA B:GLU181 4.7 16.0 1.0 CB B:GLU181 4.7 15.1 1.0 OH B:TYR177 4.9 27.3 1.0 CD B:GLU244 5.0 46.2 1.0

W.C.Simke, M.E.Walker, L.A.Calderone, A.T.Putz, J.B.Patteson, C.N.Vitro, C.F.Zizola, M.R.Redinbo, M.E.Pandelia, T.L.Grove, B.Li. Structural Basis For Methine Excision By A Heme Oxygenase-Like Enzyme Acs Cent.Sci. 2024.
ISSN: ESSN 2374-7951
DOI: 10.1021/ACSCENTSCI.4C00015