Zinc in PDB 6d57: Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated

The structure of Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated, PDB code: 6d57 was solved by S.Sarvan, J.S.Brunzelle, J.F.Couture, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.68 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.742, 84.363, 123.626, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.9

The binding sites of Zinc atom in the Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated (pdb code 6d57). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated, PDB code: 6d57:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn207 b:16.8 occ:1.00 SG A:CYS150 2.3 18.1 1.0 SG A:CYS153 2.3 18.2 1.0 SG A:CYS113 2.3 19.9 1.0 SG A:CYS110 2.4 13.7 1.0 CB A:CYS153 3.3 15.7 1.0 CB A:CYS110 3.3 10.2 1.0 CB A:CYS113 3.3 18.5 1.0 CB A:CYS150 3.4 13.9 1.0 N A:CYS113 3.7 16.8 1.0 N A:CYS150 4.0 16.4 1.0 CA A:CYS113 4.1 18.2 1.0 N A:CYS153 4.2 19.6 1.0 CA A:CYS150 4.2 14.7 1.0 O A:HOH471 4.3 44.3 1.0 CA A:CYS153 4.3 17.9 1.0 CB A:ASN112 4.6 21.6 1.0 C A:ASN112 4.6 22.6 1.0 CB A:LYS115 4.6 15.2 1.0 CA A:CYS110 4.7 11.3 1.0 O A:CYS150 4.7 18.5 1.0 C A:CYS150 4.8 18.1 1.0 CE A:LYS115 4.8 21.3 1.0 C A:CYS113 4.8 21.3 1.0 N A:GLY114 4.9 16.8 1.0 CA A:ASN112 4.9 18.4 1.0 N A:ASN112 5.0 16.1 1.0

Zinc binding site 2 out of 2 in the Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Campylobacter Jejuni Ferric Uptake Regulator S1 Metalated within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn206 b:10.5 occ:0.75 SG B:CYS150 2.2 17.3 1.0 SG B:CYS113 2.3 21.0 1.0 SG B:CYS110 2.4 12.4 1.0 SG B:CYS153 2.4 17.1 1.0 CB B:CYS110 3.2 10.5 1.0 CB B:CYS153 3.3 13.1 1.0 CB B:CYS113 3.3 18.8 1.0 CB B:CYS150 3.4 12.6 1.0 N B:CYS113 3.6 17.8 1.0 N B:CYS150 4.0 12.2 1.0 CA B:CYS113 4.0 17.1 1.0 CA B:CYS150 4.2 12.6 1.0 O B:HOH450 4.2 37.5 1.0 N B:CYS153 4.2 15.8 1.0 CA B:CYS153 4.4 14.6 1.0 CE B:LYS115 4.4 29.2 1.0 O B:HOH433 4.6 52.0 1.0 CB B:ASN112 4.6 11.8 1.0 CG B:LYS115 4.7 24.4 1.0 CA B:CYS110 4.7 10.2 1.0 C B:ASN112 4.7 19.6 1.0 C B:CYS150 4.8 18.7 1.0 C B:CYS113 4.8 22.6 1.0 N B:GLY114 4.8 15.6 1.0 O B:CYS150 4.8 14.6 1.0 CD B:LYS115 4.9 23.5 1.0 NZ B:LYS115 5.0 20.5 1.0 CA B:ASN112 5.0 13.6 1.0

S.Sarvan, F.Charih, M.Askoura, J.Butcher, J.S.Brunzelle, A.Stintzi, J.F.Couture. Functional Insights Into the Interplay Between Dna Interaction and Metal Coordination in Ferric Uptake Regulators. Sci Rep V. 8 7140 2018.
ISSN: ESSN 2045-2322
PubMed: 29739988
DOI: 10.1038/S41598-018-25157-6