Zinc in PDB 3hi2: Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022)

The structure of Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022), PDB code: 3hi2 was solved by S.Grigoriu, B.L.Brown, J.M.Arruda, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.64 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.234, 63.234, 194.886, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.8

The binding sites of Zinc atom in the Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022) (pdb code 3hi2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022), PDB code: 3hi2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn121 b:13.5 occ:1.00 SG A:CYS40 2.3 12.6 1.0 SG A:CYS37 2.3 11.7 1.0 SG A:CYS6 2.4 11.1 1.0 SG A:CYS3 2.4 12.1 1.0 CB A:CYS3 2.9 15.7 1.0 CB A:CYS37 3.2 14.7 1.0 CB A:CYS6 3.3 11.2 1.0 CB A:CYS40 3.4 14.4 1.0 N A:CYS40 3.6 12.7 1.0 N A:CYS6 3.8 11.7 1.0 CA A:CYS40 4.0 12.6 1.0 CA A:CYS6 4.1 11.0 1.0 CA A:CYS3 4.4 13.5 1.0 C A:CYS40 4.4 16.6 1.0 CB A:GLU42 4.5 13.3 1.0 CA A:CYS37 4.6 12.6 1.0 O A:CYS40 4.7 17.3 1.0 C A:HIS39 4.7 13.0 1.0 CB A:HIS39 4.8 12.6 1.0 N A:GLY9 4.9 21.3 1.0 N A:GLU42 4.9 8.8 1.0 C A:CYS6 4.9 10.1 1.0 O A:HOH212 4.9 34.2 1.0 N A:HIS7 5.0 12.9 1.0 C A:VAL5 5.0 12.8 1.0

Zinc binding site 2 out of 2 in the Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the N-Terminal Domain of the E. Coli Antitoxin Mqsa (Ygit/B3021) in Complex with the E. Coli Toxin Mqsr (Ygiu/B3022) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn121 b:18.1 occ:1.00 SG C:CYS40 2.2 5.6 1.0 SG C:CYS6 2.2 4.8 1.0 SG C:CYS37 2.3 6.0 1.0 SG C:CYS3 2.4 5.2 1.0 CB C:CYS3 3.0 11.1 1.0 CB C:CYS37 3.2 12.4 1.0 CB C:CYS40 3.3 8.8 1.0 CB C:CYS6 3.3 8.2 1.0 N C:CYS40 3.6 6.6 1.0 N C:CYS6 3.7 8.3 1.0 CA C:CYS40 3.9 9.2 1.0 CA C:CYS6 4.1 9.9 1.0 C C:CYS40 4.4 12.0 1.0 CA C:CYS3 4.5 10.8 1.0 C C:HIS39 4.6 9.5 1.0 O C:CYS40 4.7 12.5 1.0 CA C:CYS37 4.7 9.8 1.0 CB C:GLU42 4.8 12.5 1.0 CB C:HIS39 4.8 9.9 1.0 C C:CYS6 4.8 12.2 1.0 C C:VAL5 4.9 12.2 1.0 N C:HIS7 4.9 12.9 1.0 N C:GLY9 4.9 22.1 1.0 CB C:VAL5 5.0 14.4 1.0 N C:HIS39 5.0 9.8 1.0

B.L.Brown, S.Grigoriu, Y.Kim, J.M.Arruda, A.Davenport, T.K.Wood, W.Peti, R.Page. Three Dimensional Structure of the Mqsr:Mqsa Complex: A Novel Ta Pair Comprised of A Toxin Homologous to Rele and An Antitoxin with Unique Properties. Plos Pathog. V. 5 E1000 2009.
ISSN: ISSN 1553-7366
PubMed: 20041169
DOI: 10.1371/JOURNAL.PPAT.1000706