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Magnesium in PDB 7p42: Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2

Protein crystallography data

The structure of Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2, PDB code: 7p42 was solved by M.Gardonyi, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.12 / 1.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 57.629, 57.629, 159.246, 90, 90, 120
R / Rfree (%) 19.7 / 21.9

Other elements in 7p42:

The structure of Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 (pdb code 7p42). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2, PDB code: 7p42:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7p42

Go back to Magnesium Binding Sites List in 7p42
Magnesium binding site 1 out of 2 in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:17.7
occ:0.78
O A:HOH389 2.1 33.3 0.8
O A:HOH302 4.0 26.5 1.0
O A:HOH305 4.2 33.4 1.0
O A:HOH388 4.4 23.9 1.0
OD2 A:ASP33 4.6 36.5 1.0

Magnesium binding site 2 out of 2 in 7p42

Go back to Magnesium Binding Sites List in 7p42
Magnesium binding site 2 out of 2 in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:35.2
occ:0.84
O B:HOH327 2.0 39.6 0.8
O B:HOH340 2.0 24.9 0.8
O B:HOH325 2.2 39.0 0.8
OG B:SER41 2.3 25.6 0.5
CB B:SER41 3.5 25.0 0.5
CB B:SER41 3.7 24.7 0.5
O B:HOH395 3.9 34.5 1.0
CA B:SER41 4.0 21.9 0.5
CA B:SER41 4.0 22.0 0.5
O B:SER41 4.1 22.9 0.5
O B:SER41 4.1 22.8 0.5
OD1 B:ASP45 4.2 30.8 1.0
O B:HOH308 4.3 37.7 1.0
C B:SER41 4.5 22.6 0.5
C B:SER41 4.5 22.6 0.5
OG B:SER41 4.8 27.8 0.5
CG B:ASP45 5.0 32.7 1.0

Reference:

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 To Be Published.
Page generated: Thu Oct 3 04:00:47 2024

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