Calcium in PDB 1gun: Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)

The structure of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial), PDB code: 1gun was solved by A.W.Schuettelkopf, J.A.Harrison, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.61 / 1.83
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.810, 78.380, 95.240, 90.00, 90.01, 90.00
R / Rfree (%)	21.5 / 24.8

The structure of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) also contains other interesting chemical elements:

Molybdenum

(Mo)

4 atoms

The binding sites of Calcium atom in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) (pdb code 1gun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial), PDB code: 1gun:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1071 b:30.9 occ:1.00 O A:HOH2038 2.7 13.0 1.0 O A:HOH2040 2.7 12.0 0.5 OD1 B:ASP63 4.4 18.5 1.0 OD1 A:ASP63 4.6 17.4 1.0 OD2 B:ASP63 4.7 17.2 1.0 OD2 A:ASP63 4.7 15.8 1.0 OD1 C:ASP63 4.8 14.2 1.0 CG B:ASP63 4.9 21.3 1.0 OD2 C:ASP63 5.0 22.8 1.0 CG A:ASP63 5.0 19.6 1.0

Calcium binding site 2 out of 2 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1069 b:24.3 occ:1.00 OD1 F:ASP63 2.5 15.0 1.0 OD1 D:ASP63 2.6 18.0 1.0 O D:HOH2033 2.6 26.1 1.0 OD1 E:ASP63 2.7 16.8 1.0 O D:HOH2032 2.7 21.1 1.0 O D:HOH2036 2.7 11.3 1.0 O D:HOH2038 2.8 21.3 1.0 O D:HOH2037 2.8 12.3 0.5 CG F:ASP63 3.5 15.8 1.0 CG D:ASP63 3.6 16.9 1.0 CG E:ASP63 3.7 18.6 1.0 OD2 F:ASP63 3.8 13.9 1.0 OD2 D:ASP63 3.9 18.2 1.0 OD2 E:ASP63 3.9 14.7 1.0 O D:HOH2035 4.1 32.3 1.0 CB F:ASP63 4.9 14.5 1.0 CB D:ASP63 4.9 14.2 1.0

A.W.Schuettelkopf, J.A.Harrison, D.H.Boxer, W.N.Hunter. Passive Acquisition of Ligand By the Mopii Molbindin From Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem. V. 277 15013 2002.
ISSN: ISSN 0021-9258
PubMed: 11836258
DOI: 10.1074/JBC.M201005200