Iron in PDB 6q6q: Human Aldehyde Oxidase Snp G1269R

All present enzymatic activity of Human Aldehyde Oxidase Snp G1269R:
1.2.3.1;

The structure of Human Aldehyde Oxidase Snp G1269R, PDB code: 6q6q was solved by C.Mota, C.Coelho, T.Santos-Silva, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.86 / 3.10
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	148.197, 148.197, 132.204, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.6

The binding sites of Iron atom in the Human Aldehyde Oxidase Snp G1269R (pdb code 6q6q). 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 G1269R, PDB code: 6q6q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Human Aldehyde Oxidase Snp G1269R


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 G1269R within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:58.8 occ:1.00 FE1 A:FES3001 0.0 58.8 1.0 SG A:CYS149 2.2 47.8 1.0 SG A:CYS117 2.2 51.3 1.0 S1 A:FES3001 2.2 59.7 1.0 S2 A:FES3001 2.2 40.3 1.0 FE2 A:FES3001 3.1 55.0 1.0 CB A:CYS149 3.7 50.5 1.0 CB A:CYS117 3.7 60.1 1.0 CG2 A:THR152 4.1 65.5 1.0 N A:CYS117 4.3 57.3 1.0 CB A:CYS151 4.3 56.2 1.0 CA A:CYS149 4.4 45.2 1.0 SG A:CYS114 4.4 63.2 1.0 CA A:CYS117 4.5 58.1 1.0 N A:GLY115 4.6 59.9 1.0 N A:CYS151 4.6 52.8 1.0 N A:ARG150 4.7 49.3 1.0 OG1 A:THR152 4.7 62.0 1.0 N A:THR152 4.7 62.1 1.0 N A:THR118 4.8 61.0 1.0 OG1 A:THR118 4.9 65.2 1.0 C A:CYS117 4.9 58.3 1.0 N A:PHE116 4.9 50.2 1.0 C A:CYS149 5.0 50.8 1.0

Iron binding site 2 out of 4 in the Human Aldehyde Oxidase Snp G1269R


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 G1269R within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3001 b:55.0 occ:1.00 FE2 A:FES3001 0.0 55.0 1.0 S1 A:FES3001 2.2 59.7 1.0 S2 A:FES3001 2.2 40.3 1.0 SG A:CYS114 2.2 63.2 1.0 SG A:CYS151 2.6 51.9 1.0 CB A:CYS151 3.1 56.2 1.0 FE1 A:FES3001 3.1 58.8 1.0 CB A:CYS114 3.1 53.5 1.0 N A:CYS114 3.8 54.0 1.0 N A:CYS151 3.9 52.8 1.0 CA A:CYS114 4.0 49.4 1.0 CA A:CYS151 4.1 62.8 1.0 N A:GLY115 4.2 59.9 1.0 SG A:CYS149 4.3 47.8 1.0 C A:CYS114 4.5 54.9 1.0 N A:ARG150 4.6 49.3 1.0 C A:ARG150 4.7 52.6 1.0 N A:PHE116 4.8 50.2 1.0 SG A:CYS117 4.8 51.3 1.0 CG A:MET753 4.9 55.2 1.0 CB A:GLN113 5.0 57.6 1.0

Iron binding site 3 out of 4 in the Human Aldehyde Oxidase Snp G1269R


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 G1269R within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3002 b:79.7 occ:1.00 FE1 A:FES3002 0.0 79.7 1.0 S1 A:FES3002 2.2 66.7 1.0 S2 A:FES3002 2.2 71.0 1.0 SG A:CYS49 2.3 65.5 1.0 N A:CYS44 2.7 60.4 1.0 SG A:CYS44 2.7 72.7 1.0 FE2 A:FES3002 3.1 72.5 1.0 CB A:CYS49 3.3 60.9 1.0 N A:GLY45 3.4 70.6 1.0 CA A:CYS44 3.4 67.6 1.0 CB A:CYS44 3.5 68.3 1.0 C A:GLY43 3.6 60.2 1.0 CA A:GLY43 3.8 61.1 1.0 C A:CYS44 3.8 72.0 1.0 N A:CYS49 3.9 60.1 1.0 N A:GLY43 3.9 64.2 1.0 CA A:CYS49 4.1 60.1 1.0 N A:GLY50 4.3 55.5 1.0 N A:GLY47 4.3 72.4 1.0 N A:GLY48 4.5 70.5 1.0 CA A:GLY45 4.5 71.7 1.0 N A:GLY46 4.5 85.9 1.0 C A:CYS49 4.6 58.4 1.0 SG A:CYS74 4.6 52.6 1.0 N A:ALA51 4.7 54.0 1.0 CA A:GLY47 4.7 68.6 1.0 O A:GLY43 4.8 63.5 1.0 C A:GLY47 5.0 70.3 1.0 O A:CYS44 5.0 76.8 1.0

Iron binding site 4 out of 4 in the Human Aldehyde Oxidase Snp G1269R


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 G1269R within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3002 b:72.5 occ:1.00 FE2 A:FES3002 0.0 72.5 1.0 S2 A:FES3002 2.2 71.0 1.0 S1 A:FES3002 2.2 66.7 1.0 SG A:CYS52 2.3 53.5 1.0 SG A:CYS74 2.3 52.6 1.0 FE1 A:FES3002 3.1 79.7 1.0 CB A:CYS74 3.5 54.2 1.0 CB A:CYS52 3.7 53.9 1.0 CB A:ASN72 4.0 62.9 1.0 CA A:GLY47 4.1 68.6 1.0 N A:GLY47 4.2 72.4 1.0 N A:CYS52 4.3 53.1 1.0 N A:CYS74 4.3 54.5 1.0 ND2 A:ASN72 4.4 68.0 1.0 SG A:CYS49 4.5 65.5 1.0 CG A:ASN72 4.5 70.8 1.0 CA A:CYS74 4.5 52.9 1.0 CA A:CYS52 4.6 45.5 1.0 N A:GLY45 4.7 70.6 1.0 CA A:ASN72 4.8 58.0 1.0 N A:GLY50 4.8 55.5 1.0 C A:GLY47 4.9 70.3 1.0 N A:ALA51 5.0 54.0 1.0 C A:ASN72 5.0 61.1 1.0

C.Mota, M.Esmaeeli, C.Coelho, T.Santos-Silva, M.Wolff, A.Foti, S.Leimkuhler, M.J.Romao. Human Aldehyde Oxidase (HAOX1): Structure Determination of the Moco-Free Form of the Natural Variant G1269R and Biophysical Studies of Single Nucleotide Polymorphisms. Febs Open Bio V. 9 925 2019.
ISSN: ESSN 2211-5463
PubMed: 30985987
DOI: 10.1002/2211-5463.12617