Zinc in PDB 2qnw: Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein

The structure of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein, PDB code: 2qnw was solved by V.V.Lunin, A.Wernimont, J.Lew, W.Qiu, L.Lin, A.Hassanali, I.Kozieradzki, Y.Zhao, M.Schapira, A.Bochkarev, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.Edwards, R.Hui, S.Brokx, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.88 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	38.814, 38.814, 104.617, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 23

The structure of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein (pdb code 2qnw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein, PDB code: 2qnw:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn83 b:25.1 occ:1.00 OE1 A:GLU10 1.8 27.3 1.0 OD2 A:ASP14 2.0 19.9 1.0 OD1 A:ASP14 2.7 19.6 1.0 CG A:ASP14 2.7 18.0 1.0 CD A:GLU10 2.8 28.8 1.0 CG A:GLU10 3.3 24.7 1.0 OE2 A:GLU10 3.9 32.1 1.0 O A:HOH150 4.0 35.0 1.0 CB A:ASP14 4.1 17.8 1.0 O A:GLU10 4.2 17.5 1.0 NH2 A:ARG24 4.2 41.0 1.0 CD A:ARG11 4.4 15.2 1.0 C A:GLU10 4.6 17.4 1.0 CZ A:ARG24 4.7 40.2 1.0 NH1 A:ARG24 4.7 41.1 1.0 CB A:GLU10 4.8 19.3 1.0 NH1 A:ARG11 4.9 21.9 1.0

Zinc binding site 2 out of 5 in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn84 b:24.4 occ:1.00 OD2 A:ASP18 2.1 21.1 1.0 O A:HOH218 2.2 40.8 1.0 O A:HOH115 2.3 26.1 1.0 CG A:ASP18 2.8 20.7 1.0 OD1 A:ASP18 2.9 21.1 1.0 O A:HOH105 3.9 22.0 1.0 O A:HOH127 3.9 26.7 1.0 O A:HOH130 4.1 24.9 1.0 CB A:ASP18 4.3 17.6 1.0 O A:HOH106 4.3 25.1 1.0 NZ A:LYS54 4.8 20.3 1.0 O A:HOH146 4.9 53.8 1.0 O A:HOH219 4.9 44.6 1.0

Zinc binding site 3 out of 5 in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn86 b:21.2 occ:0.50 OD1 A:ASP72 2.1 16.1 1.0 O A:HOH124 2.1 15.4 1.0 O A:HOH117 2.3 21.9 1.0 CG A:ASP72 3.0 15.0 1.0 OD2 A:ASP72 3.3 17.7 1.0 OE1 A:GLN71 3.6 17.7 0.3 O A:HOH113 4.1 19.7 1.0 O A:HOH112 4.1 22.7 1.0 OG1 A:THR69 4.1 14.0 1.0 CB A:ASP72 4.4 15.2 1.0 CD A:GLN71 4.7 18.4 0.3 CA A:ASP72 4.8 15.6 1.0 O A:HOH179 4.8 38.4 1.0 N A:ASP72 4.8 15.1 1.0 CG2 A:THR69 4.9 18.7 1.0

Zinc binding site 4 out of 5 in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn87 b:38.3 occ:0.80 OE2 A:GLU46 2.1 33.2 1.0 O A:HOH169 2.5 32.8 1.0 SD A:MET49 2.6 34.1 1.0 CD A:GLU46 2.9 28.3 1.0 OE1 A:GLU46 3.1 30.0 1.0 O A:HOH192 3.4 31.9 0.5 O A:HOH153 3.8 31.0 1.0 CE A:MET49 3.8 35.0 1.0 CG A:MET49 4.2 25.6 1.0 O A:HOH193 4.3 39.0 1.0 CG A:GLU46 4.4 23.1 1.0 CG1 A:VAL45 4.6 23.6 1.0 CB A:MET49 4.8 20.6 1.0 CA A:GLU46 4.9 20.3 1.0

Zinc binding site 5 out of 5 in the Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn88 b:29.2 occ:0.80 OE1 A:GLU78 1.9 33.2 1.0 OD2 A:ASP5 2.0 36.4 1.0 CD A:GLU78 2.7 33.9 1.0 CG A:ASP5 2.8 34.4 1.0 OE2 A:GLU78 2.9 36.6 1.0 OD1 A:ASP5 3.0 37.0 1.0 O A:HOH204 3.8 42.1 1.0 CG A:GLU78 4.1 26.4 1.0 O A:HOH116 4.2 28.4 1.0 CB A:ASP5 4.3 31.5 1.0 O A:HOH180 4.5 45.2 1.0 CB A:GLU78 4.6 21.8 1.0 OG A:SER75 5.0 21.2 1.0

V.V.Lunin, A.Wernimont, J.Lew, W.Qiu, L.Lin, A.Hassanali, I.Kozieradzki, Y.Zhao, M.Schapira, A.Bochkarev, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.Edwards, R.Hui, S.Brokx. Toxoplasma Gondii Apicoplast-Targeted Acyl Carrier Protein. To Be Published.