Iron in PDB 5epg: Human Aldehyde Oxidase Snp S1271L

All present enzymatic activity of Human Aldehyde Oxidase Snp S1271L:
1.2.3.1;

The structure of Human Aldehyde Oxidase Snp S1271L, PDB code: 5epg was solved by C.Coelho, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.16 / 3.39
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	147.439, 147.439, 131.713, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 25.3

The structure of Human Aldehyde Oxidase Snp S1271L also contains other interesting chemical elements:

Molybdenum

(Mo)

1 atom

The binding sites of Iron atom in the Human Aldehyde Oxidase Snp S1271L (pdb code 5epg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Aldehyde Oxidase Snp S1271L, PDB code: 5epg:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Human Aldehyde Oxidase Snp S1271L


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Aldehyde Oxidase Snp S1271L within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:82.4 occ:1.00 FE1 A:FES3001 0.0 82.4 1.0 S2 A:FES3001 2.2 63.5 1.0 S1 A:FES3001 2.2 70.2 1.0 SG A:CYS114 2.3 81.6 1.0 SG A:CYS151 2.5 87.1 1.0 CB A:CYS151 3.0 90.5 1.0 FE2 A:FES3001 3.1 86.7 1.0 CB A:CYS114 3.1 76.2 1.0 N A:CYS114 3.4 76.0 1.0 CA A:CYS114 3.7 75.9 1.0 N A:GLY115 3.9 80.5 1.0 N A:CYS151 4.1 80.9 1.0 CA A:CYS151 4.2 90.4 1.0 C A:CYS114 4.3 76.0 1.0 SG A:CYS149 4.3 90.8 1.0 C A:GLN113 4.6 75.4 1.0 CB A:GLN113 4.6 85.3 1.0 N A:PHE116 4.7 72.7 1.0 SG A:CYS117 4.9 89.0 1.0 N2 A:MTE3003 4.9 97.0 1.0 N A:GLN113 4.9 71.3 1.0 CA A:GLN113 4.9 78.0 1.0 N A:ARG150 4.9 83.9 1.0 C A:ARG150 5.0 78.5 1.0

Iron binding site 2 out of 4 in the Human Aldehyde Oxidase Snp S1271L


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Aldehyde Oxidase Snp S1271L within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:86.7 occ:1.00 FE2 A:FES3001 0.0 86.7 1.0 SG A:CYS117 2.0 89.0 1.0 SG A:CYS149 2.1 90.8 1.0 S2 A:FES3001 2.2 63.5 1.0 S1 A:FES3001 2.3 70.2 1.0 CB A:CYS117 3.0 83.5 1.0 FE1 A:FES3001 3.1 82.4 1.0 CB A:CYS149 3.4 86.7 1.0 CA A:CYS149 3.9 86.9 1.0 N A:CYS117 4.0 75.5 1.0 CA A:CYS117 4.1 75.2 1.0 N A:ARG150 4.4 83.9 1.0 SG A:CYS114 4.6 81.6 1.0 C A:CYS149 4.6 87.6 1.0 CB A:CYS151 4.6 90.5 1.0 N A:CYS151 4.6 80.9 1.0 C A:CYS117 4.7 72.5 1.0 OG1 A:THR152 4.7 86.1 1.0 CG2 A:THR152 4.8 0.3 1.0 O A:LEU148 4.9 83.2 1.0 N A:GLY115 4.9 80.5 1.0 N A:THR118 5.0 72.1 1.0 N A:PHE116 5.0 72.7 1.0

Iron binding site 3 out of 4 in the Human Aldehyde Oxidase Snp S1271L


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Aldehyde Oxidase Snp S1271L within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3002 b:0.8 occ:1.00 FE1 A:FES3002 0.0 0.8 1.0 SG A:CYS52 2.1 72.6 1.0 S2 A:FES3002 2.2 0.5 1.0 S1 A:FES3002 2.3 0.9 1.0 SG A:CYS74 2.3 96.0 1.0 FE2 A:FES3002 3.0 0.1 1.0 CB A:CYS74 3.3 89.2 1.0 CB A:CYS52 3.4 77.0 1.0 N A:CYS52 4.2 73.1 1.0 N A:GLY47 4.2 0.5 1.0 CA A:GLY47 4.3 0.8 1.0 CB A:ASN72 4.3 92.6 1.0 N A:CYS74 4.3 75.8 1.0 N A:GLY45 4.4 0.2 1.0 CA A:CYS52 4.4 75.2 1.0 CA A:CYS74 4.4 78.7 1.0 CG A:ASN72 4.5 0.9 1.0 CA A:GLY45 4.7 0.0 1.0 SG A:CYS49 4.8 0.3 1.0 ND2 A:ASN72 4.8 0.4 1.0 OD1 A:ASN72 4.9 0.7 1.0

Iron binding site 4 out of 4 in the Human Aldehyde Oxidase Snp S1271L


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Aldehyde Oxidase Snp S1271L within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3002 b:0.1 occ:1.00 FE2 A:FES3002 0.0 0.1 1.0 SG A:CYS49 2.2 0.3 1.0 S1 A:FES3002 2.2 0.9 1.0 S2 A:FES3002 2.2 0.5 1.0 FE1 A:FES3002 3.0 0.8 1.0 CB A:CYS44 3.2 95.8 1.0 N A:CYS44 3.4 98.1 1.0 N A:CYS49 3.5 0.7 1.0 CB A:CYS49 3.6 1.0 1.0 CA A:CYS44 3.7 98.4 1.0 N A:GLY45 3.7 0.2 1.0 SG A:CYS44 3.8 97.8 1.0 N A:GLY50 3.9 97.0 1.0 CA A:CYS49 3.9 0.3 1.0 N A:GLY48 4.0 0.5 1.0 C A:CYS44 4.1 0.8 1.0 N A:GLY47 4.2 0.5 1.0 C A:GLY43 4.3 0.8 1.0 C A:CYS49 4.3 0.3 1.0 CA A:GLY47 4.4 0.8 1.0 C A:GLY47 4.4 0.6 1.0 CA A:GLY43 4.5 0.1 1.0 N A:GLY43 4.5 0.7 1.0 N A:ALA51 4.6 92.2 1.0 C A:GLY48 4.6 0.0 1.0 N A:GLY46 4.7 0.4 1.0 SG A:CYS52 4.8 72.6 1.0 SG A:CYS74 4.8 96.0 1.0 CA A:GLY45 4.8 0.0 1.0 CA A:GLY48 4.8 98.6 1.0 CA A:GLY50 4.9 87.5 1.0

A.Foti, T.Hartmann, C.Coelho, T.Santos-Silva, M.J.Romao, S.Leimkuhler. Optimization of the Expression of Human Aldehyde Oxidase For Investigations of Single-Nucleotide Polymorphisms. Drug Metab.Dispos. V. 44 1277 2016.
ISSN: ESSN 1521-009X
PubMed: 26842593
DOI: 10.1124/DMD.115.068395