Calcium in PDB 2gsk: Structure of the Btub:Tonb Complex

The structure of Structure of the Btub:Tonb Complex, PDB code: 2gsk was solved by D.D.Shultis, M.P.Purdy, C.N.Banchs, M.C.Wiener, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.340, 82.439, 122.632, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.1

The structure of Structure of the Btub:Tonb Complex also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Calcium atom in the Structure of the Btub:Tonb Complex (pdb code 2gsk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Btub:Tonb Complex, PDB code: 2gsk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Btub:Tonb Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Btub:Tonb Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:28.8 occ:1.00 OD1 A:ASP193 2.2 24.5 1.0 O A:ASP193 2.3 31.4 1.0 OD1 A:ASP179 2.3 28.5 1.0 OD2 A:ASP230 2.4 23.0 1.0 O A:GLN191 2.4 31.1 1.0 OD1 A:ASP230 2.5 25.1 1.0 OD2 A:ASP195 2.5 23.9 1.0 CG A:ASP230 2.8 27.1 1.0 CG A:ASP195 3.3 28.6 1.0 CG A:ASP179 3.4 29.4 1.0 C A:ASP193 3.4 29.3 1.0 OD1 A:ASP195 3.4 25.8 1.0 CG A:ASP193 3.4 29.4 1.0 C A:GLN191 3.5 29.5 1.0 N A:ASP193 3.7 31.4 1.0 CA A:CA2 3.7 30.3 1.0 CA A:ASP193 3.9 30.9 1.0 C A:THR192 4.0 31.5 1.0 CA A:ASP179 4.0 29.2 1.0 CB A:ASP179 4.1 29.9 1.0 N A:VAL180 4.2 28.1 1.0 OD2 A:ASP179 4.2 34.1 1.0 O A:HOH864 4.2 29.5 1.0 N A:THR192 4.2 28.9 1.0 CB A:ASP193 4.2 29.6 1.0 CA A:THR192 4.3 30.6 1.0 CB A:ASP230 4.3 26.0 1.0 CB A:GLN191 4.4 29.5 1.0 OD2 A:ASP193 4.4 25.4 1.0 C A:ASP179 4.5 28.7 1.0 CA A:GLN191 4.5 30.3 1.0 O A:THR192 4.5 33.5 1.0 N A:ASN194 4.5 29.3 1.0 N A:VAL181 4.7 26.9 1.0 CB A:ASP195 4.7 24.2 1.0 O A:HOH851 4.7 26.3 1.0 N A:ASP195 4.9 27.6 1.0 C A:ASN194 4.9 29.0 1.0

Calcium binding site 2 out of 2 in the Structure of the Btub:Tonb Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Btub:Tonb Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:30.3 occ:1.00 O A:TYR229 2.2 28.4 1.0 OD1 A:ASP230 2.3 25.1 1.0 OD1 A:ASP195 2.3 25.8 1.0 O A:HOH832 2.4 28.8 1.0 OD2 A:ASP193 2.5 25.4 1.0 OD1 A:ASP193 2.5 24.5 1.0 O A:HOH813 2.5 26.9 1.0 CG A:ASP193 2.8 29.4 1.0 C A:TYR229 3.2 26.6 1.0 CG A:ASP195 3.5 28.6 1.0 CG A:ASP230 3.6 27.1 1.0 CA A:CA1 3.7 28.8 1.0 N A:ASP230 3.9 26.3 1.0 OD2 A:ASP195 4.1 23.9 1.0 CA A:ASP230 4.1 26.1 1.0 CA A:TYR229 4.1 27.5 1.0 N A:TYR229 4.1 28.5 1.0 OD1 A:ASP241 4.2 40.9 1.0 CB A:ASP193 4.3 29.6 1.0 OD2 A:ASP241 4.3 30.7 1.0 CG A:ASP241 4.4 33.2 1.0 CB A:ASP230 4.4 26.0 1.0 OD2 A:ASP230 4.4 23.0 1.0 CB A:GLN191 4.6 29.5 1.0 O A:ASP241 4.6 27.1 1.0 OE1 A:GLN191 4.7 29.0 1.0 CB A:ASN228 4.7 29.4 1.0 CB A:ASP195 4.7 24.2 1.0 O A:ASP193 4.8 31.4 1.0 C A:ASN228 4.8 29.2 1.0 O A:GLN191 4.9 31.1 1.0

D.D.Shultis, M.D.Purdy, C.N.Banchs, M.C.Wiener. Outer Membrane Active Transport: Structure of the Btub:Tonb Complex Science V. 312 1396 2006.
ISSN: ISSN 0036-8075
PubMed: 16741124
DOI: 10.1126/SCIENCE.1127694