Mercury in PDB 2x49: Crystal Structure of the C-Terminal Domain of Inva

The structure of Crystal Structure of the C-Terminal Domain of Inva, PDB code: 2x49 was solved by L.J.Worrall, M.Vuckovic, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.51 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.991, 57.413, 113.870, 90.00, 90.00, 90.00
R / Rfree (%)	19.18 / 22.516

The structure of Crystal Structure of the C-Terminal Domain of Inva also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Mercury atom in the Crystal Structure of the C-Terminal Domain of Inva (pdb code 2x49). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Crystal Structure of the C-Terminal Domain of Inva, PDB code: 2x49:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Crystal Structure of the C-Terminal Domain of Inva


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of the C-Terminal Domain of Inva within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1686 b:24.1 occ:0.48 SG A:CYS579 2.3 21.3 1.0 CB A:CYS579 3.4 17.9 1.0 C A:CYS579 3.4 17.4 1.0 O A:CYS579 3.5 17.4 1.0 N A:HIS580 3.6 16.7 1.0 O A:ASP675 3.7 18.0 1.0 CA A:SER676 3.7 17.4 1.0 ND1 A:HIS580 3.8 18.3 1.0 CA A:HIS580 3.9 16.7 1.0 CA A:CYS579 3.9 17.7 1.0 C A:ASP675 4.0 17.2 1.0 N A:SER676 4.0 16.9 1.0 CB A:ALA583 4.1 16.1 1.0 CG A:HIS580 4.3 17.1 1.0 CB A:SER676 4.3 18.3 1.0 CE1 A:HIS580 4.3 18.2 1.0 O A:HOH2288 4.4 23.3 1.0 CB A:HIS580 4.7 17.0 1.0 C A:SER676 4.7 17.9 1.0 N A:LYS677 4.8 18.4 1.0 CB A:ASP675 4.9 17.9 1.0 CD2 A:HIS580 5.0 19.0 1.0 NE2 A:HIS580 5.0 20.4 1.0

Mercury binding site 2 out of 3 in the Crystal Structure of the C-Terminal Domain of Inva


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of the C-Terminal Domain of Inva within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1687 b:18.9 occ:0.19 SG A:CYS484 2.4 25.9 1.0 O A:HOH2282 3.1 28.8 1.0 CB A:CYS484 3.3 18.4 1.0 CD1 A:PHE423 3.5 18.8 1.0 CE1 A:PHE423 3.7 11.8 1.0 OH A:TYR456 3.8 26.4 1.0 CA A:CYS484 3.9 17.8 1.0 CE A:LYS640 4.1 18.0 1.0 CD A:LYS640 4.2 17.2 1.0 CZ A:TYR456 4.3 19.2 1.0 O A:HOH2074 4.6 25.3 1.0 CE1 A:TYR456 4.6 19.6 1.0 CG A:PHE423 4.7 20.1 1.0 C A:CYS484 4.8 17.0 1.0 O A:CYS484 4.9 16.3 1.0

Mercury binding site 3 out of 3 in the Crystal Structure of the C-Terminal Domain of Inva


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of the C-Terminal Domain of Inva within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1688 b:31.3 occ:0.10 ND1 A:HIS461 2.6 21.9 1.0 O A:HOH2110 2.9 31.5 1.0 O A:HOH2144 3.3 33.4 1.0 CG A:HIS461 3.5 18.5 1.0 CE1 A:HIS461 3.5 23.2 1.0 CB A:HIS461 3.7 15.9 1.0 SD A:MET430 3.9 23.9 1.0 O A:HOH2102 4.0 34.3 1.0 CE A:MET430 4.1 23.3 1.0 CG A:MET430 4.1 18.8 1.0 CA A:HIS461 4.2 16.7 1.0 OE2 A:GLU465 4.2 26.4 1.0 NH2 A:ARG468 4.4 36.1 1.0 O A:HIS461 4.5 15.6 1.0 NE2 A:HIS461 4.6 17.6 1.0 CD2 A:HIS461 4.6 17.6 1.0 C A:HIS461 4.7 16.5 1.0 CD A:GLU465 4.9 25.1 1.0

L.J.Worrall, M.Vuckovic, N.C.J.Strynadka. Crystal Structure of the C-Terminal Domain of the Salmonella Type III Secretion System Export Apparatus Protein Inva. Protein Sci. V. 19 1091 2010.
ISSN: ISSN 0961-8368
PubMed: 20306492
DOI: 10.1002/PRO.382