Iron in PDB 7e1q: Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori

The structure of Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori, PDB code: 7e1q was solved by J.S.Zhou, L.Zhang, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.57 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.829, 65.953, 68.891, 90, 96.31, 90
R / Rfree (%)	14.4 / 17.3

The structure of Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori (pdb code 7e1q). 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 Dehydrogenase/Isomerase Fabx From Helicobacter Pylori, PDB code: 7e1q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori


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 Dehydrogenase/Isomerase Fabx From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2001 b:11.2 occ:1.00 FE1 A:SF42001 0.0 11.2 1.0 S2 A:SF42001 2.3 11.3 1.0 S3 A:SF42001 2.3 11.0 1.0 S4 A:SF42001 2.3 11.9 1.0 SG A:CYS300 2.3 13.6 1.0 FE2 A:SF42001 2.7 11.3 1.0 FE3 A:SF42001 2.7 11.1 1.0 FE4 A:SF42001 2.7 10.5 1.0 CB A:CYS300 3.2 13.6 1.0 CA A:CYS300 3.7 13.1 1.0 N A:ASN303 3.8 12.3 1.0 CA A:ASN303 3.8 14.7 1.0 S1 A:SF42001 3.9 10.5 1.0 N A:CYS304 4.1 9.7 1.0 N A:GLY311 4.4 13.1 1.0 C A:ASN303 4.5 11.8 1.0 C A:CYS300 4.5 14.7 1.0 SG A:CYS308 4.6 10.8 1.0 CA A:ARG310 4.6 13.5 1.0 C A:ARG310 4.6 16.1 1.0 O A:HOH2281 4.7 13.1 1.0 SG A:CYS320 4.7 10.9 1.0 N A:VAL301 4.7 11.8 1.0 OD1 A:ASN303 4.9 14.6 1.0 SG A:CYS304 4.9 10.8 1.0 N A:CYS300 4.9 12.7 1.0 CA A:GLY311 4.9 14.1 1.0 C A:SER302 4.9 12.6 1.0 CB A:ASN303 5.0 13.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori


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 Dehydrogenase/Isomerase Fabx From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2001 b:11.3 occ:1.00 FE2 A:SF42001 0.0 11.3 1.0 S1 A:SF42001 2.3 10.5 1.0 SG A:CYS308 2.3 10.8 1.0 S4 A:SF42001 2.3 11.9 1.0 S3 A:SF42001 2.3 11.0 1.0 FE1 A:SF42001 2.7 11.2 1.0 FE4 A:SF42001 2.7 10.5 1.0 FE3 A:SF42001 2.7 11.1 1.0 CB A:CYS308 3.1 12.1 1.0 S2 A:SF42001 3.9 11.3 1.0 CB A:ALA314 4.0 13.8 1.0 N A:GLY311 4.0 13.1 1.0 CA A:GLY311 4.2 14.1 1.0 CB A:PRO274 4.6 14.6 1.0 CA A:CYS308 4.6 11.4 1.0 SG A:CYS300 4.6 13.6 1.0 SG A:CYS304 4.7 10.8 1.0 C A:ARG310 4.9 16.1 1.0 CG2 A:VAL305 4.9 9.4 1.0 N A:ALA314 4.9 9.8 1.0 SG A:CYS320 4.9 10.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori


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 Dehydrogenase/Isomerase Fabx From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2001 b:11.1 occ:1.00 FE3 A:SF42001 0.0 11.1 1.0 S4 A:SF42001 2.2 11.9 1.0 SG A:CYS320 2.3 10.9 1.0 S1 A:SF42001 2.3 10.5 1.0 S2 A:SF42001 2.4 11.3 1.0 FE4 A:SF42001 2.6 10.5 1.0 FE2 A:SF42001 2.7 11.3 1.0 FE1 A:SF42001 2.7 11.2 1.0 CB A:CYS320 3.3 13.6 1.0 CA A:CYS320 3.7 9.4 1.0 S3 A:SF42001 3.9 11.0 1.0 N A:ILE321 4.2 9.0 1.0 C A:CYS320 4.2 9.8 1.0 O A:HOH2281 4.3 13.1 1.0 CB A:ALA322 4.4 8.6 1.0 N A:ALA322 4.4 9.7 1.0 SG A:CYS304 4.4 10.8 1.0 CB A:ALA314 4.6 13.8 1.0 O A:HOH2237 4.6 25.9 1.0 SG A:CYS300 4.8 13.6 1.0 SG A:CYS308 4.9 10.8 1.0 CA A:CYS300 4.9 13.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Dehydrogenase/Isomerase Fabx From Helicobacter Pylori


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 Dehydrogenase/Isomerase Fabx From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2001 b:10.5 occ:1.00 FE4 A:SF42001 0.0 10.5 1.0 S3 A:SF42001 2.3 11.0 1.0 SG A:CYS304 2.3 10.8 1.0 S2 A:SF42001 2.3 11.3 1.0 S1 A:SF42001 2.3 10.5 1.0 FE3 A:SF42001 2.6 11.1 1.0 FE2 A:SF42001 2.7 11.3 1.0 FE1 A:SF42001 2.7 11.2 1.0 N A:CYS304 3.2 9.7 1.0 CB A:CYS304 3.4 8.4 1.0 CA A:CYS304 3.8 8.2 1.0 S4 A:SF42001 3.8 11.9 1.0 N A:VAL305 3.9 10.2 1.0 CB A:ALA322 4.2 8.6 1.0 CG2 A:VAL305 4.3 9.4 1.0 C A:ASN303 4.3 11.8 1.0 C A:CYS304 4.3 10.6 1.0 SG A:CYS320 4.5 10.9 1.0 CA A:ASN303 4.6 14.7 1.0 N A:ALA322 4.6 9.7 1.0 N A:ASN303 4.7 12.3 1.0 CG2 A:ILE321 4.7 13.2 1.0 SG A:CYS308 4.7 10.8 1.0 CB A:CYS308 4.8 12.1 1.0 SG A:CYS300 4.9 13.6 1.0

L.Yu, Y.Duan, S.Shen, J.Hu, P.Zhang, W.Song, X.Ruan, J.Jiang, Y.Zhang, L.Zhou, J.Jia, X.Hang, C.Tian, H.Lin, H.Z.Chen, J.E.Cronan, H.Bi, L.Zhang. Helicobacter Pylori Fabx Contains A [4FE-4S] Cluster Essential For Unsaturated Fatty Acid Synthesis Nat Commun 2021.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-021-27148-0