Zinc in PDB 5tsa: Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+

The structure of Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+, PDB code: 5tsa was solved by T.Zhang, M.Fellner, D.Sui, J.Liu, J.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.37 / 2.40
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.006, 61.073, 94.394, 90.00, 104.02, 90.00
R / Rfree (%)	21.2 / 25.7

The structure of Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ also contains other interesting chemical elements:

Cadmium

(Cd)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ (pdb code 5tsa). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+, PDB code: 5tsa:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+


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 the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:52.0 occ:1.00 OE2 A:GLU181 2.0 44.3 1.0 O A:HOH504 2.1 48.0 1.0 OE2 A:GLU211 2.1 52.2 1.0 OE1 A:GLN207 2.2 40.7 1.0 O A:HOH503 2.5 45.5 1.0 CD A:GLU211 2.7 47.3 1.0 OE1 A:GLU211 2.8 42.1 1.0 CD A:GLU181 3.0 43.2 1.0 CD A:GLN207 3.2 38.2 1.0 OE1 A:GLU181 3.4 40.9 1.0 NE2 A:GLN207 3.7 34.2 1.0 CG A:MET99 3.9 43.3 1.0 CG A:GLU211 4.1 39.1 1.0 OE1 A:GLU276 4.3 54.4 1.0 CG A:GLU181 4.4 41.3 1.0 CD A:CD407 4.4 54.2 0.5 CB A:ALA95 4.5 30.4 1.0 CG A:GLN207 4.6 32.8 1.0 O A:ALA95 4.7 36.1 1.0 CE A:MET269 4.9 55.1 1.0 CB A:MET99 4.9 35.2 1.0 C A:ALA95 5.0 37.6 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+


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 the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:80.9 occ:1.00 O A:HOH511 2.2 39.8 1.0 O A:HOH510 2.3 41.4 1.0 O A:HOH509 2.4 51.1 1.0 CA A:GLY122 4.1 57.6 1.0 N A:GLY122 4.3 62.0 1.0 CD A:PRO123 5.0 56.8 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+


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 the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:50.7 occ:0.47 ND1 A:HIS177 2.0 49.6 1.0 OE2 A:GLU276 2.0 55.4 1.0 CE1 A:HIS177 2.9 56.3 1.0 CD A:GLU276 3.1 59.1 1.0 CG A:HIS177 3.1 53.7 1.0 CG A:GLU276 3.5 54.3 1.0 CB A:HIS177 3.6 46.3 1.0 NE2 A:HIS177 4.0 50.9 1.0 CD2 A:HIS177 4.2 50.0 1.0 OE1 A:GLU276 4.2 54.4 1.0 CG2 A:THR173 4.3 43.1 1.0 O A:THR173 4.6 42.2 1.0 CB A:GLU276 4.8 52.8 1.0 O A:HOH503 4.9 45.5 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+


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 the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:80.8 occ:0.55 NE2 A:HIS275 2.0 74.7 1.0 OD2 A:ASP144 2.1 66.6 1.0 CE1 A:HIS275 2.7 66.6 1.0 CG A:ASP144 3.0 71.9 1.0 CD2 A:HIS275 3.2 65.7 1.0 OD1 A:ASP144 3.3 80.4 1.0 ND1 A:HIS275 4.0 64.1 1.0 CG A:HIS275 4.2 66.7 1.0 CB A:ASP144 4.4 62.4 1.0 ZN A:ZN405 4.4 76.3 0.6 O A:HOH508 4.6 48.0 1.0 O A:ASP144 4.8 75.3 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:76.3 occ:0.60 OD1 A:ASP144 2.0 80.4 1.0 O A:HOH508 2.1 48.0 1.0 O A:HOH505 2.3 47.5 1.0 CG A:ASP144 3.1 71.9 1.0 NE2 A:HIS177 3.6 50.9 1.0 OD2 A:ASP144 3.9 66.6 1.0 NE2 A:HIS275 3.9 74.7 1.0 CD2 A:HIS275 4.0 65.7 1.0 CB A:ASP144 4.0 62.4 1.0 CG2 A:THR173 4.3 43.1 1.0 CA A:ASP144 4.3 67.3 1.0 CE1 A:HIS275 4.3 66.6 1.0 CG A:HIS275 4.4 66.7 1.0 ZN A:ZN404 4.4 80.8 0.6 CE1 A:HIS177 4.5 56.3 1.0 CD2 A:HIS177 4.5 50.0 1.0 ND1 A:HIS275 4.6 64.1 1.0 CD1 A:LEU176 4.8 52.3 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of the Zrt-/Irt-Like Protein From Bordetella Bronchiseptica with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:74.6 occ:0.42 OD2 A:ASP89 2.0 61.6 1.0 ND1 A:HIS286 2.1 73.2 1.0 CG A:ASP89 2.8 55.3 1.0 CE1 A:HIS286 3.0 79.0 1.0 OD1 A:ASP89 3.0 56.4 1.0 CG A:HIS286 3.1 73.0 1.0 CB A:HIS286 3.5 68.5 1.0 NE2 A:HIS286 4.1 79.5 1.0 CD2 A:HIS286 4.2 77.5 1.0 CB A:ASP89 4.3 49.1 1.0 CB A:ALA85 4.6 52.2 1.0 N A:HIS286 4.7 78.8 1.0 O A:ALA85 4.7 49.7 1.0 CA A:HIS286 4.7 72.5 1.0

T.Zhang, J.Liu, M.Fellner, C.Zhang, D.Sui, J.Hu. Crystal Structures of A Zip Zinc Transporter Reveal A Binuclear Metal Center in the Transport Pathway. Sci Adv V. 3 00344 2017.
ISSN: ESSN 2375-2548
PubMed: 28875161
DOI: 10.1126/SCIADV.1700344