Iron in PDB 9b9m: Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa

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

The structure of Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa, PDB code: 9b9m 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)	29.35 / 2.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.941, 114.061, 103.952, 90, 102.54, 90
R / Rfree (%)	20 / 24.1

The binding sites of Iron atom in the Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa (pdb code 9b9m). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa, PDB code: 9b9m:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the 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 Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:33.0 occ:1.00 OE1 A:GLU181 2.2 29.2 1.0 NE2 A:HIS274 2.2 39.3 1.0 ND1 A:HIS191 2.3 31.0 1.0 O A:HOH635 2.3 35.0 1.0 O A:HOH547 2.3 33.7 1.0 O A:HOH518 2.4 34.6 1.0 CE1 A:HIS191 3.0 31.1 1.0 CE1 A:HIS274 3.1 40.3 1.0 CD A:GLU181 3.2 29.0 1.0 CD2 A:HIS274 3.2 39.6 1.0 CG A:HIS191 3.4 31.9 1.0 OE2 A:GLU181 3.5 28.5 1.0 CB A:HIS191 3.9 31.1 1.0 O A:HOH729 4.0 37.0 1.0 NE2 A:HIS191 4.2 33.1 1.0 ND1 A:HIS274 4.3 41.6 1.0 OH A:TYR177 4.3 30.9 1.0 OE1 A:GLU244 4.3 61.3 0.9 OE1 A:GLU244 4.3 61.7 0.1 CG A:HIS274 4.4 40.9 1.0 CD2 A:HIS191 4.4 33.0 1.0 CG A:GLU181 4.5 28.4 1.0 O A:HOH686 4.7 28.8 1.0 CB A:GLU181 4.7 28.3 1.0 CE1 A:TYR177 4.7 29.4 1.0 CA A:GLU181 4.8 29.9 1.0 O A:HOH501 4.9 33.7 1.0 CZ A:TYR177 4.9 28.4 1.0

Iron binding site 2 out of 4 in the 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 Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:33.1 occ:1.00 O B:HOH521 2.2 28.3 1.0 OE1 B:GLU181 2.2 40.7 1.0 ND1 B:HIS191 2.2 30.9 1.0 NE2 B:HIS274 2.3 43.5 1.0 O B:HOH610 2.3 31.4 1.0 O B:HOH656 2.3 28.1 1.0 CE1 B:HIS274 2.9 44.5 1.0 CD B:GLU181 3.0 37.7 1.0 CE1 B:HIS191 3.1 32.5 1.0 OE2 B:GLU181 3.2 36.9 1.0 CG B:HIS191 3.3 31.8 1.0 CD2 B:HIS274 3.5 44.7 1.0 O B:HOH693 3.6 45.4 1.0 CB B:HIS191 3.7 31.5 1.0 ND1 B:HIS274 4.1 46.7 1.0 NE2 B:HIS191 4.2 32.4 1.0 OH B:TYR177 4.3 32.2 1.0 CD2 B:HIS191 4.4 32.2 1.0 CG B:HIS274 4.4 46.8 1.0 CG B:GLU181 4.4 35.4 1.0 CB B:GLU181 4.7 31.6 1.0 CA B:GLU181 4.8 29.8 1.0 CE1 B:TYR177 4.8 30.2 1.0 O B:HOH673 4.8 39.8 1.0 CZ B:TYR177 4.9 31.2 1.0 OE2 B:GLU244 4.9 56.2 0.5

Iron binding site 3 out of 4 in the 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 3 of Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:39.2 occ:1.00 O C:HOH519 2.2 38.1 1.0 OE1 C:GLU181 2.2 40.0 1.0 NE2 C:HIS274 2.3 45.6 1.0 ND1 C:HIS191 2.3 33.6 1.0 O C:HOH606 2.3 42.3 1.0 O C:HOH570 2.4 42.8 1.0 CD C:GLU181 3.0 38.4 1.0 OE2 C:GLU181 3.1 36.0 1.0 CE1 C:HIS274 3.1 46.3 1.0 CE1 C:HIS191 3.1 35.1 1.0 CD2 C:HIS274 3.3 46.7 1.0 CG C:HIS191 3.3 34.0 1.0 CB C:HIS191 3.7 35.2 1.0 O C:HOH680 3.9 37.4 1.0 ND1 C:HIS274 4.3 46.6 1.0 OH C:TYR177 4.3 34.9 1.0 NE2 C:HIS191 4.3 36.4 1.0 CG C:HIS274 4.4 47.0 1.0 CG C:GLU181 4.4 38.4 1.0 CD2 C:HIS191 4.4 34.7 1.0 OE1 C:GLU244 4.5 52.4 1.0 O C:HOH652 4.7 44.4 1.0 CB C:GLU181 4.8 39.5 1.0 CA C:GLU181 4.9 40.8 1.0 CE1 C:TYR177 4.9 37.4 1.0 OE2 C:GLU244 4.9 54.8 1.0 CZ C:TYR177 4.9 37.7 1.0

Iron binding site 4 out of 4 in the 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 4 of Crystal Structure of Iron-Bound Flcd From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:45.9 occ:1.00 OE1 D:GLU181 2.3 51.6 1.0 ND1 D:HIS191 2.3 45.2 1.0 O D:HOH591 2.3 34.3 1.0 O D:HOH504 2.4 44.7 1.0 O D:HOH569 2.5 54.7 1.0 NE2 D:HIS274 2.5 55.0 1.0 CE1 D:HIS191 3.0 46.4 1.0 CD D:GLU181 3.1 49.9 1.0 OE2 D:GLU181 3.2 48.3 1.0 CD2 D:HIS274 3.4 55.6 1.0 CG D:HIS191 3.5 46.2 1.0 CE1 D:HIS274 3.5 55.3 1.0 O D:HOH594 3.7 34.2 0.6 CB D:HIS191 4.0 47.4 1.0 O D:HOH615 4.0 45.0 1.0 NE2 D:HIS191 4.2 46.8 1.0 OH D:TYR177 4.2 48.7 1.0 O D:HOH510 4.4 62.9 1.0 CD2 D:HIS191 4.5 46.6 1.0 CG D:GLU181 4.5 48.9 1.0 CG D:HIS274 4.6 58.1 1.0 ND1 D:HIS274 4.6 57.3 1.0 CE1 D:TYR177 4.7 47.3 1.0 O D:HOH592 4.8 39.0 1.0 CB D:GLU181 4.8 48.7 1.0 CZ D:TYR177 4.9 47.4 1.0 CA D:GLU181 5.0 49.1 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