Zinc in PDB 4ets: Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator

The structure of Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator, PDB code: 4ets was solved by S.Sarvan, J.B.Brunzelle, J.-F.Couture, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.76 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.954, 85.284, 128.435, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 26.6

The structure of Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator (pdb code 4ets). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator, PDB code: 4ets:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:31.6 occ:1.00 OE2 A:GLU220 2.1 28.8 1.0 NE2 A:HIS237 2.2 26.2 1.0 OD2 A:ASP201 2.3 22.8 1.0 OD1 A:ASP201 2.3 19.5 1.0 O A:HOH404 2.3 22.2 1.0 O A:HOH403 2.4 23.6 1.0 CG A:ASP201 2.6 23.9 1.0 CD A:GLU220 3.1 28.8 1.0 CE1 A:HIS237 3.2 28.0 1.0 CD2 A:HIS237 3.2 21.5 1.0 OE1 A:GLU220 3.3 28.2 1.0 O A:HOH406 3.7 19.7 1.0 CB A:ASP201 4.1 23.5 1.0 ND1 A:HIS237 4.3 26.6 1.0 CG A:HIS237 4.4 29.8 1.0 NE2 A:GLN223 4.4 20.2 1.0 OE1 A:GLN223 4.5 30.0 1.0 CG A:GLU220 4.5 24.1 1.0 OE1 A:GLU215 4.5 36.9 1.0 O A:HOH405 4.6 22.9 1.0 N A:ASP201 4.8 24.6 1.0 O A:HIS199 4.8 30.3 1.0 CB A:MET239 4.8 24.3 1.0 CD A:GLN223 4.9 26.7 1.0 CA A:ASP201 4.9 24.8 1.0 SD A:MET239 4.9 30.9 1.0 C A:HIS200 4.9 26.6 1.0 CG A:GLU215 4.9 31.7 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:40.7 occ:1.00 SG A:CYS208 2.1 39.6 1.0 SG A:CYS245 2.3 39.1 1.0 SG A:CYS205 2.4 36.2 1.0 SG A:CYS248 2.5 48.2 1.0 CB A:CYS205 3.2 30.4 1.0 CB A:CYS208 3.4 43.2 1.0 CB A:CYS248 3.4 46.8 1.0 CB A:CYS245 3.4 38.1 1.0 N A:CYS208 3.6 43.0 1.0 N A:CYS245 3.9 36.5 1.0 CA A:CYS208 4.1 41.8 1.0 CA A:CYS245 4.2 37.1 1.0 N A:CYS248 4.2 46.6 1.0 CA A:CYS248 4.4 47.9 1.0 CB A:ASN207 4.6 43.2 1.0 CA A:CYS205 4.7 32.4 1.0 C A:ASN207 4.7 43.4 1.0 CB A:LYS210 4.7 35.8 1.0 C A:CYS245 4.8 38.2 1.0 C A:CYS208 4.8 41.8 1.0 N A:GLY209 4.9 40.1 1.0 O A:CYS245 4.9 35.8 1.0 CA A:ASN207 5.0 43.2 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:30.2 occ:1.00 OE2 B:GLU220 2.1 25.9 1.0 OD2 B:ASP201 2.2 25.8 1.0 NE2 B:HIS237 2.2 25.0 1.0 O B:HOH403 2.3 31.7 1.0 O B:HOH402 2.4 21.9 1.0 OD1 B:ASP201 2.5 24.6 1.0 CG B:ASP201 2.7 23.8 1.0 CD B:GLU220 2.9 27.9 1.0 OE1 B:GLU220 3.1 26.6 1.0 CE1 B:HIS237 3.2 26.0 1.0 CD2 B:HIS237 3.2 22.0 1.0 O B:HOH401 3.8 21.0 1.0 OE1 B:GLN223 4.2 28.3 1.0 CB B:ASP201 4.2 25.7 1.0 ND1 B:HIS237 4.3 26.4 1.0 CG B:HIS237 4.3 21.9 1.0 CG B:GLU220 4.4 23.9 1.0 NE2 B:GLN223 4.5 20.7 1.0 OE1 B:GLU215 4.5 38.3 1.0 CG B:GLU215 4.6 32.6 1.0 O B:HOH425 4.7 26.3 1.0 CD B:GLN223 4.7 25.7 1.0 N B:ASP201 4.8 26.4 1.0 O B:HIS199 4.8 34.9 1.0 CB B:MET239 4.9 23.3 0.5 CB B:MET239 5.0 22.6 0.5

Zinc binding site 4 out of 4 in the Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Campylobacter Jejuni Ferric Uptake Regulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:32.9 occ:1.00 SG B:CYS208 2.1 28.7 1.0 SG B:CYS245 2.1 35.4 1.0 SG B:CYS205 2.4 29.2 1.0 SG B:CYS248 2.4 41.0 1.0 CB B:CYS205 3.2 24.3 1.0 CB B:CYS208 3.3 30.4 1.0 CB B:CYS248 3.4 46.9 1.0 CB B:CYS245 3.4 35.6 1.0 N B:CYS208 3.7 30.7 1.0 N B:CYS245 4.0 33.5 1.0 CA B:CYS208 4.1 30.6 1.0 CA B:CYS245 4.2 35.3 1.0 N B:CYS248 4.3 46.6 1.0 CA B:CYS248 4.5 47.3 1.0 CB B:LYS210 4.6 25.9 1.0 CA B:CYS205 4.7 25.8 1.0 C B:CYS245 4.7 38.1 1.0 CB B:ASN207 4.7 34.0 1.0 CB B:ASP247 4.8 48.7 1.0 O B:CYS245 4.8 37.3 1.0 C B:ASN207 4.8 33.4 1.0 C B:CYS208 4.8 31.0 1.0 C B:ASP247 4.8 48.3 1.0 N B:ASP247 5.0 47.6 1.0 N B:GLY209 5.0 27.4 1.0

J.Butcher, S.Sarvan, J.S.Brunzelle, J.F.Couture, A.Stintzi. Structure and Regulon of Campylobacter Jejuni Ferric Uptake Regulator Fur Define Apo-Fur Regulation. Proc.Natl.Acad.Sci.Usa V. 109 10047 2012.
ISSN: ISSN 0027-8424
PubMed: 22665794
DOI: 10.1073/PNAS.1118321109