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Magnesium in PDB 1gus: Mopii From Clostridium Pasteurianum (APO1)

Protein crystallography data

The structure of Mopii From Clostridium Pasteurianum (APO1), PDB code: 1gus 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) 23.77 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 79.080, 82.400, 56.820, 90.00, 93.23, 90.00
R / Rfree (%) 17.9 / 21.7

Other elements in 1gus:

The structure of Mopii From Clostridium Pasteurianum (APO1) also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Mopii From Clostridium Pasteurianum (APO1) (pdb code 1gus). 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 (APO1), PDB code: 1gus:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1gus

Go back to Magnesium Binding Sites List in 1gus
Magnesium binding site 1 out of 2 in the Mopii From Clostridium Pasteurianum (APO1)


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 (APO1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1069

b:25.5
occ:1.00
O A:HOH2053 2.0 21.4 1.0
O C:HOH2042 2.0 22.2 1.0
O B:HOH2048 2.0 19.4 1.0
OD1 B:ASP63 2.5 14.9 1.0
OD1 A:ASP63 2.5 15.1 1.0
OD1 C:ASP63 2.5 15.8 1.0
O C:HOH2043 2.9 30.6 1.0
O A:HOH2052 3.0 27.4 1.0
O B:HOH2047 3.0 26.6 1.0
MG D:MG1070 3.3 24.9 1.0
CG B:ASP63 3.6 14.5 1.0
CG A:ASP63 3.6 15.1 1.0
CG C:ASP63 3.6 14.4 1.0
O E:HOH2053 3.7 33.8 1.0
O F:HOH2044 3.9 34.3 1.0
OD2 A:ASP63 3.9 13.5 1.0
OD2 C:ASP63 3.9 13.5 1.0
OD2 B:ASP63 3.9 13.2 1.0
O D:HOH2051 4.1 30.9 1.0
OD1 D:ASP63 4.5 16.6 1.0
OD1 E:ASP63 4.5 16.4 1.0
OD2 D:ASP63 4.6 14.9 1.0
OD1 F:ASP63 4.6 16.9 1.0
OD2 E:ASP63 4.6 14.2 1.0
OD2 F:ASP63 4.6 14.0 1.0
CG E:ASP63 4.8 15.0 1.0
CG D:ASP63 4.9 15.2 1.0
CG F:ASP63 4.9 15.3 1.0
CB C:ASP63 4.9 10.2 1.0
CB B:ASP63 4.9 10.2 1.0
CB A:ASP63 4.9 10.5 1.0

Magnesium binding site 2 out of 2 in 1gus

Go back to Magnesium Binding Sites List in 1gus
Magnesium binding site 2 out of 2 in the Mopii From Clostridium Pasteurianum (APO1)


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 (APO1) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1070

b:24.9
occ:1.00
O C:HOH2042 2.1 22.2 1.0
O B:HOH2048 2.1 19.4 1.0
O A:HOH2053 2.2 21.4 1.0
OD1 E:ASP63 2.6 16.4 1.0
OD1 D:ASP63 2.6 16.6 1.0
OD1 F:ASP63 2.7 16.9 1.0
O D:HOH2053 2.9 24.2 1.0
O E:HOH2054 2.9 22.6 1.0
O F:HOH2045 3.0 24.4 1.0
MG A:MG1069 3.3 25.5 1.0
CG E:ASP63 3.5 15.0 1.0
CG D:ASP63 3.6 15.2 1.0
CG F:ASP63 3.6 15.3 1.0
OD2 E:ASP63 3.7 14.2 1.0
OD2 D:ASP63 3.7 14.9 1.0
OD2 F:ASP63 3.8 14.0 1.0
OD1 B:ASP63 4.5 14.9 1.0
OD1 A:ASP63 4.5 15.1 1.0
OD1 C:ASP63 4.5 15.8 1.0
CE D:LYS60 4.7 21.7 1.0
CE F:LYS60 4.7 18.6 1.0
CE E:LYS60 4.7 20.7 1.0
OD2 A:ASP63 4.8 13.5 1.0
OD2 C:ASP63 4.8 13.5 1.0
OD2 B:ASP63 4.8 13.2 1.0
CG B:ASP63 4.9 14.5 1.0
CG A:ASP63 4.9 15.1 1.0
CB E:ASP63 4.9 10.1 1.0
CB D:ASP63 4.9 10.1 1.0
CB F:ASP63 4.9 10.6 1.0
CG C:ASP63 4.9 14.4 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: Mon Dec 14 05:58:26 2020

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