Iron in PDB 1hux: Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A

The structure of Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A, PDB code: 1hux was solved by K.P.Locher, M.Hans, A.P.Yeh, B.Schmid, W.Buckel, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	82.070, 51.990, 74.700, 90.00, 118.81, 90.00
R / Rfree (%)	23.6 / 27.9

The binding sites of Iron atom in the Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A (pdb code 1hux). 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 the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A, PDB code: 1hux:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A


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 the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:41.8 occ:1.00 FE1 A:SF4290 0.0 41.8 1.0 S3 A:SF4290 2.2 36.6 1.0 SG A:CYS166 2.2 36.3 1.0 S4 A:SF4290 2.3 47.5 1.0 S2 A:SF4290 2.3 38.0 1.0 FE2 A:SF4290 2.5 31.5 1.0 FE3 A:SF4290 2.6 36.7 1.0 FE4 A:SF4290 2.6 36.0 1.0 CB A:CYS166 3.2 36.3 1.0 CA A:CYS166 3.8 41.2 1.0 S1 A:SF4290 3.8 43.4 1.0 N A:THR167 3.9 32.2 1.0 OG1 A:THR167 4.0 36.5 1.0 N B:ALA128 4.2 23.5 1.0 C A:CYS166 4.3 41.2 1.0 SG B:CYS127 4.5 33.5 1.0 N A:VAL168 4.5 22.0 1.0 CA B:CYS127 4.5 28.6 1.0 OG1 B:THR167 4.6 34.1 1.0 CG2 A:VAL168 4.6 11.6 1.0 SG A:CYS127 4.7 39.9 1.0 SG B:CYS166 4.7 47.6 1.0 CB B:ALA128 4.7 10.2 1.0 C B:CYS127 4.9 28.6 1.0 CA A:THR167 4.9 32.2 1.0 O B:LYS126 4.9 58.0 1.0 CB A:VAL168 5.0 11.6 1.0 CB B:CYS127 5.0 33.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A


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 the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:31.5 occ:1.00 FE2 A:SF4290 0.0 31.5 1.0 S3 A:SF4290 2.2 36.6 1.0 SG B:CYS127 2.3 33.5 1.0 S4 A:SF4290 2.3 47.5 1.0 S1 A:SF4290 2.3 43.4 1.0 FE1 A:SF4290 2.5 41.8 1.0 FE4 A:SF4290 2.6 36.0 1.0 FE3 A:SF4290 2.7 36.7 1.0 CB B:CYS127 3.4 33.5 1.0 CA B:CYS127 3.8 28.6 1.0 S2 A:SF4290 3.8 38.0 1.0 N B:ALA128 4.1 23.5 1.0 C B:CYS127 4.4 28.6 1.0 SG A:CYS166 4.5 36.3 1.0 N B:ALA129 4.5 29.5 1.0 CB B:ALA129 4.6 10.2 1.0 SG B:CYS166 4.7 47.6 1.0 SG A:CYS127 4.7 39.9 1.0 CA B:CYS166 4.8 43.2 1.0 CB B:CYS166 4.9 47.6 1.0 OG1 B:THR167 5.0 34.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A


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 the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:36.7 occ:1.00 FE3 A:SF4290 0.0 36.7 1.0 SG B:CYS166 2.3 47.6 1.0 S2 A:SF4290 2.3 38.0 1.0 S4 A:SF4290 2.3 47.5 1.0 S1 A:SF4290 2.3 43.4 1.0 FE4 A:SF4290 2.5 36.0 1.0 FE1 A:SF4290 2.6 41.8 1.0 FE2 A:SF4290 2.7 31.5 1.0 CB B:CYS166 3.2 47.6 1.0 CA B:CYS166 3.7 43.2 1.0 S3 A:SF4290 3.8 36.6 1.0 N B:THR167 4.0 38.2 1.0 N A:ALA128 4.1 12.4 1.0 C B:CYS166 4.3 43.2 1.0 OG1 B:THR167 4.3 34.1 1.0 OG1 A:THR167 4.5 36.5 1.0 SG A:CYS127 4.6 39.9 1.0 CA A:CYS127 4.6 25.9 1.0 N B:VAL168 4.6 17.9 1.0 CB A:ALA128 4.6 19.9 1.0 SG A:CYS166 4.7 36.3 1.0 SG B:CYS127 4.7 33.5 1.0 CG2 B:VAL168 4.7 10.5 1.0 O A:LYS126 4.9 40.7 1.0 C A:CYS127 4.9 25.9 1.0 N B:CYS166 5.0 43.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A


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 the Acidaminococcus Fermentans (R)-2- Hydroxyglutaryl-Coa Dehydratase Component A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:36.0 occ:1.00 FE4 A:SF4290 0.0 36.0 1.0 SG A:CYS127 2.3 39.9 1.0 S1 A:SF4290 2.3 43.4 1.0 S2 A:SF4290 2.3 38.0 1.0 S3 A:SF4290 2.3 36.6 1.0 FE3 A:SF4290 2.5 36.7 1.0 FE1 A:SF4290 2.6 41.8 1.0 FE2 A:SF4290 2.6 31.5 1.0 CB A:CYS127 3.4 39.9 1.0 CA A:CYS127 3.6 25.9 1.0 S4 A:SF4290 3.8 47.5 1.0 N A:ALA128 3.9 12.4 1.0 C A:CYS127 4.2 25.9 1.0 N A:ALA129 4.3 23.3 1.0 SG B:CYS166 4.5 47.6 1.0 CB A:ALA129 4.6 60.9 1.0 SG A:CYS166 4.7 36.3 1.0 SG B:CYS127 4.7 33.5 1.0 OG1 A:THR167 4.7 36.5 1.0 N A:CYS127 4.9 25.9 1.0 CA A:CYS166 4.9 41.2 1.0 CA A:ALA128 5.0 12.4 1.0

K.P.Locher, M.Hans, A.P.Yeh, B.Schmid, W.Buckel, D.C.Rees. Crystal Structure of the Acidaminococcus Fermentans 2-Hydroxyglutaryl-Coa Dehydratase Component A. J.Mol.Biol. V. 307 297 2001.
ISSN: ISSN 0022-2836
PubMed: 11243821
DOI: 10.1006/JMBI.2000.4496