Iron in PDB 5ze4: The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster

All present enzymatic activity of The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster:
4.2.1.9;

The structure of The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster, PDB code: 5ze4 was solved by J.Zhou, X.Zang, Y.Tang, Y.Yan, J.Gan, L.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.11
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	135.467, 135.467, 65.978, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.5

The structure of The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster (pdb code 5ze4). 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 Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster, PDB code: 5ze4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:26.2 occ:1.00 FE1 A:FES601 0.0 26.2 1.0 S1 A:FES601 2.2 26.9 1.0 S2 A:FES601 2.3 26.9 1.0 SG A:CYS139 2.4 21.9 1.0 SG A:CYS66 2.4 25.5 1.0 FE2 A:FES601 2.6 32.6 1.0 CB A:CYS139 3.4 21.9 1.0 CB A:CYS66 3.4 22.3 1.0 ND2 A:ASN64 3.8 21.0 1.0 CA A:CYS139 3.9 21.7 1.0 N A:ASP140 4.1 23.5 1.0 SG A:CYS211 4.3 32.0 1.0 C A:CYS139 4.5 22.4 1.0 OXT A:ACT605 4.6 30.7 1.0 N A:CYS211 4.8 27.3 1.0 CB A:ASP140 4.8 27.9 1.0 CG A:ASN64 4.8 20.8 1.0 CA A:CYS66 4.9 21.2 1.0 CA A:ALA210 4.9 24.3 1.0 OD1 A:ASN64 4.9 22.3 1.0 O A:HOH743 4.9 21.7 1.0

Iron binding site 2 out of 2 in the The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of Holo- Structure of Dhad Complex with [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:32.6 occ:1.00 FE2 A:FES601 0.0 32.6 1.0 S2 A:FES601 2.3 26.9 1.0 SG A:CYS211 2.3 32.0 1.0 S1 A:FES601 2.3 26.9 1.0 OXT A:ACT605 2.4 30.7 1.0 FE1 A:FES601 2.6 26.2 1.0 C A:ACT605 3.4 37.2 1.0 CB A:CYS211 3.6 32.1 1.0 O A:HOH809 3.6 30.9 1.0 SG A:CYS66 4.1 25.5 1.0 N A:CYS211 4.1 27.3 1.0 O A:ACT605 4.2 41.6 1.0 CH3 A:ACT605 4.2 38.4 1.0 CA A:CYS211 4.5 30.2 1.0 CB A:ALA99 4.6 21.4 1.0 SG A:CYS139 4.6 21.9 1.0 N A:ALA99 4.6 21.0 1.0 CB A:ASP98 4.9 22.3 1.0

Y.Yan, Q.Liu, X.Zang, S.Yuan, U.Bat-Erdene, C.Nguyen, J.Gan, J.Zhou, S.E.Jacobsen, Y.Tang. Resistance-Gene-Directed Discovery of A Natural-Product Herbicide with A New Mode of Action. Nature V. 559 415 2018.
ISSN: ESSN 1476-4687
PubMed: 29995859
DOI: 10.1038/S41586-018-0319-4