Iron in PDB 9jpi: The Complex Structure of Dhad with Aspterric Acid (Aa).

All present enzymatic activity of The Complex Structure of Dhad with Aspterric Acid (Aa).:
4.2.1.9;

The structure of The Complex Structure of Dhad with Aspterric Acid (Aa)., PDB code: 9jpi was solved by J.Zhou, X.Zang, Y.Tang, Y.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 2.00
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	135.89, 135.89, 66.64, 90, 90, 90
R / Rfree (%)	18.2 / 21.4

The structure of The Complex Structure of Dhad with Aspterric Acid (Aa). also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the The Complex Structure of Dhad with Aspterric Acid (Aa). (pdb code 9jpi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Complex Structure of Dhad with Aspterric Acid (Aa)., PDB code: 9jpi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Complex Structure of Dhad with Aspterric Acid (Aa).


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Complex Structure of Dhad with Aspterric Acid (Aa). within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:45.5 occ:0.70 FE1 A:FES605 0.0 45.5 0.7 S2 A:FES605 2.2 30.3 0.7 S1 A:FES605 2.2 46.9 0.7 SG A:CYS211 2.4 53.9 1.0 FE2 A:FES605 2.7 32.0 0.7 O A:HOH713 2.8 38.2 1.0 CB A:CYS211 3.5 47.9 1.0 C12 A:K0O603 3.9 52.8 0.9 O10 A:K0O603 3.9 51.9 0.9 N A:CYS211 3.9 44.0 1.0 OD1 A:ASP140 4.1 47.3 1.0 OD2 A:ASP140 4.1 53.5 1.0 SG A:CYS66 4.1 47.2 1.0 CG A:ASP140 4.3 48.7 1.0 C11 A:K0O603 4.3 45.1 0.9 CA A:CYS211 4.3 49.5 1.0 C09 A:K0O603 4.5 54.5 0.9 SG A:CYS139 4.7 36.4 1.0 C02 A:K0O603 4.9 53.0 0.9

Iron binding site 2 out of 2 in the The Complex Structure of Dhad with Aspterric Acid (Aa).


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Complex Structure of Dhad with Aspterric Acid (Aa). within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:32.0 occ:0.70 FE2 A:FES605 0.0 32.0 0.7 S2 A:FES605 2.2 30.3 0.7 S1 A:FES605 2.2 46.9 0.7 SG A:CYS66 2.3 47.2 1.0 SG A:CYS139 2.4 36.4 1.0 FE1 A:FES605 2.7 45.5 0.7 CB A:CYS139 3.3 35.9 1.0 CB A:CYS66 3.5 31.7 1.0 ND2 A:ASN64 3.8 28.4 1.0 CA A:CYS139 3.9 32.4 1.0 N A:ASP140 4.2 37.7 1.0 C A:CYS139 4.5 39.5 1.0 SG A:CYS211 4.6 53.9 1.0 CG A:ASP140 4.8 48.7 1.0 CG A:ASN64 4.8 33.8 1.0 O A:HOH713 4.8 38.2 1.0 OD1 A:ASP140 4.8 47.3 1.0 CA A:ALA210 4.9 42.8 1.0 OD2 A:ASP140 4.9 53.5 1.0 OD1 A:ASN64 4.9 35.1 1.0 N A:CYS211 4.9 44.0 1.0 CA A:CYS66 4.9 33.7 1.0 O A:HOH745 5.0 35.5 1.0 O A:GLY138 5.0 34.5 1.0

X.Zang, U.Bat-Erdene, W.Huang, Z.Wu, S.E.Jacobsen, Y.Tang, J.Zhou. Structural Bases of Dihydroxy Acid Dehydratase Inhibition and Biodesign For Self-Resistance. Biodes Res V. 6 0046 2024.
ISSN: ESSN 2693-1257
PubMed: 39494391
DOI: 10.34133/BDR.0046