Barium in PDB 7dik: Structure of PFGRX1 with Barium

All present enzymatic activity of Structure of PFGRX1 with Barium:
1.8.4.2;

The structure of Structure of PFGRX1 with Barium, PDB code: 7dik was solved by Y.Manickam, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.11 / 1.55
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	48.224, 48.224, 82.989, 90, 90, 120
R / Rfree (%)	13.2 / 17.3

The binding sites of Barium atom in the Structure of PFGRX1 with Barium (pdb code 7dik). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 4 binding sites of Barium where determined in the Structure of PFGRX1 with Barium, PDB code: 7dik:
Jump to Barium binding site number: 1; 2; 3; 4;

Barium binding site 1 out of 4 in the Structure of PFGRX1 with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Structure of PFGRX1 with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba203 b:54.5 occ:0.35 BA A:BA206 2.7 82.0 0.3 O A:PRO57 2.9 19.7 1.0 HB2 A:PRO57 3.2 21.8 1.0 O A:HOH360 3.5 31.6 1.0 O A:HOH412 3.7 34.6 1.0 C A:PRO57 3.8 16.5 1.0 HA A:PRO57 3.8 19.6 1.0 CB A:PRO57 3.8 18.2 1.0 HB3 A:PRO57 3.9 21.8 1.0 CA A:PRO57 4.0 16.4 1.0 O A:HOH315 4.1 29.1 1.0 OD1 A:ASP58 4.8 23.4 1.0 HA A:ASP58 4.8 17.4 1.0 O A:HOH403 4.9 28.6 1.0 N A:ASP58 4.9 15.0 1.0

Barium binding site 2 out of 4 in the Structure of PFGRX1 with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Structure of PFGRX1 with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba204 b:44.1 occ:0.29 OE1 A:GLU28 2.6 33.4 1.0 O A:HOH419 2.7 55.8 0.5 HB2 A:GLU28 3.7 27.7 1.0 HB3 A:GLU28 3.7 27.7 1.0 CD A:GLU28 3.8 32.2 1.0 CB A:GLU28 4.1 23.1 1.0 CG A:GLU28 4.5 25.7 1.0 OE2 A:GLU28 4.7 37.6 1.0

Barium binding site 3 out of 4 in the Structure of PFGRX1 with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Structure of PFGRX1 with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba205 b:53.1 occ:0.25 O A:ASN45 2.7 18.4 1.0 O A:MET48 2.8 16.1 1.0 O A:HOH373 2.8 30.4 0.8 O A:HOH359 2.9 23.6 1.0 H A:MET48 3.4 16.8 1.0 HA A:SER46 3.8 20.3 1.0 C A:MET48 3.9 14.1 1.0 C A:ASN45 3.9 17.8 1.0 HB2 A:MET48 4.1 20.6 1.0 N A:MET48 4.1 14.0 1.0 C A:SER46 4.3 15.9 1.0 O A:SER46 4.4 17.0 1.0 CA A:MET48 4.4 13.6 1.0 CA A:SER46 4.4 16.9 1.0 HA A:HIS49 4.6 17.5 1.0 N A:SER46 4.7 18.0 1.0 CB A:MET48 4.7 17.2 1.0 HB3 A:MET48 4.7 20.6 1.0 HA A:ASN45 4.8 21.0 1.0 N A:HIS47 4.8 15.2 1.0 O A:HOH379 4.9 24.6 1.0 HB3 A:ASN45 4.9 27.3 1.0 CA A:ASN45 5.0 17.5 1.0

Barium binding site 4 out of 4 in the Structure of PFGRX1 with Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Structure of PFGRX1 with Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba206 b:82.0 occ:0.35 BA A:BA203 2.7 54.5 0.3 O A:HOH315 2.8 29.1 1.0 O A:PRO57 3.5 19.7 1.0 O A:HOH403 3.7 28.6 1.0 O A:HOH302 4.1 28.7 1.0 O A:HOH412 4.1 34.6 1.0 HA A:ASP58 4.4 17.4 1.0 O A:HOH360 4.7 31.6 1.0 C A:PRO57 4.7 16.5 1.0 OD1 A:ASP58 4.9 23.4 1.0

Y.Manickam, A.Sharma. Interaction of Metals with PFGRX1 To Be Published.