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Magnesium in PDB 1gut: Mopii From Clostridium Pasteurianum (APO2)

Protein crystallography data

The structure of Mopii From Clostridium Pasteurianum (APO2), PDB code: 1gut 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) 25.00 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.961, 82.328, 57.031, 90.00, 93.44, 90.00
R / Rfree (%) 17.8 / 22.2

Other elements in 1gut:

The structure of Mopii From Clostridium Pasteurianum (APO2) also contains other interesting chemical elements:

Chlorine (Cl) 9 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Mopii From Clostridium Pasteurianum (APO2) (pdb code 1gut). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mopii From Clostridium Pasteurianum (APO2), PDB code: 1gut:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1gut

Go back to Magnesium Binding Sites List in 1gut
Magnesium binding site 1 out of 2 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1071

b:21.6
occ:1.00
O F:HOH2069 2.2 27.5 1.0
O D:HOH2067 2.2 26.3 1.0
O E:HOH2060 2.3 25.9 1.0
OD1 C:ASP63 2.5 11.6 1.0
OD1 A:ASP63 2.5 12.4 1.0
OD1 B:ASP63 2.5 12.4 1.0
O C:HOH2063 3.3 22.2 1.0
O A:HOH2059 3.4 23.8 1.0
O B:HOH2061 3.4 23.5 1.0
MG D:MG1070 3.4 21.7 1.0
CG A:ASP63 3.5 9.9 1.0
CG C:ASP63 3.5 10.5 1.0
CG B:ASP63 3.5 10.7 1.0
O B:HOH2059 3.8 18.0 1.0
OD2 A:ASP63 3.8 10.9 1.0
O A:HOH2058 3.8 18.8 1.0
O C:HOH2060 3.9 18.8 1.0
OD2 B:ASP63 3.9 11.0 1.0
OD2 C:ASP63 3.9 11.1 1.0
OD1 D:ASP63 4.1 13.1 1.0
OD2 D:ASP63 4.1 12.3 1.0
OD1 F:ASP63 4.1 13.1 1.0
OD2 E:ASP63 4.1 11.9 1.0
OD2 F:ASP63 4.2 11.6 1.0
OD1 E:ASP63 4.2 12.3 1.0
CG D:ASP63 4.5 11.7 1.0
CG F:ASP63 4.5 11.1 1.0
CG E:ASP63 4.5 10.5 1.0
CB A:ASP63 4.7 9.7 1.0
CB C:ASP63 4.7 9.8 1.0
CB B:ASP63 4.8 10.5 1.0

Magnesium binding site 2 out of 2 in 1gut

Go back to Magnesium Binding Sites List in 1gut
Magnesium binding site 2 out of 2 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1070

b:21.7
occ:1.00
O E:HOH2058 2.3 19.7 1.0
O D:HOH2065 2.4 17.7 1.0
O F:HOH2068 2.5 19.1 1.0
OD1 D:ASP63 2.5 13.1 1.0
O E:HOH2060 2.6 25.9 1.0
OD1 E:ASP63 2.6 12.3 1.0
OD1 F:ASP63 2.6 13.1 1.0
O D:HOH2067 2.7 26.3 1.0
O F:HOH2069 2.8 27.5 1.0
MG A:MG1071 3.4 21.6 1.0
CG D:ASP63 3.5 11.7 1.0
CG E:ASP63 3.6 10.5 1.0
CG F:ASP63 3.6 11.1 1.0
OD2 D:ASP63 3.7 12.3 1.0
OD2 E:ASP63 3.7 11.9 1.0
OD2 F:ASP63 3.8 11.6 1.0
OG1 D:THR62 4.8 11.6 1.0
OG1 E:THR62 4.8 12.1 1.0
CB D:ASP63 4.9 9.4 1.0
O D:THR62 4.9 9.8 1.0
OD1 C:ASP63 4.9 11.6 1.0
OG1 F:THR62 4.9 12.1 1.0
OD1 A:ASP63 4.9 12.4 1.0
CE E:LYS60 4.9 10.7 1.0
OD1 B:ASP63 4.9 12.4 1.0
CB E:ASP63 4.9 9.1 1.0
O F:THR62 5.0 9.9 1.0
CB F:ASP63 5.0 9.8 1.0
O E:THR62 5.0 10.6 1.0
CE D:LYS60 5.0 11.3 1.0

Reference:

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
Page generated: Tue Aug 13 03:51:15 2024

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