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Magnesium in PDB 2wfj: Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.

Enzymatic activity of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.

All present enzymatic activity of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.:
5.2.1.8;

Protein crystallography data

The structure of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A., PDB code: 2wfj was solved by C.M.Stegmann, G.M.Sheldrick, M.C.Wahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 0.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.319, 64.913, 69.285, 90.00, 90.00, 90.00
R / Rfree (%) 11.1 / 12.9

Other elements in 2wfj:

The structure of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. (pdb code 2wfj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A., PDB code: 2wfj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2wfj

Go back to Magnesium Binding Sites List in 2wfj
Magnesium binding site 1 out of 2 in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1185

b:6.7
occ:0.78
 O A:HOH2078 2.1 9.6 1.0
O A:HOH2074 2.1 8.9 1.0
O A:HOH2071 2.1 9.0 1.0
O A:HOH2024 4.2 12.3 1.0
OE1 A:GLU38 4.3 7.5 1.0
O A:HOH2280 4.3 7.5 0.5
OE2 A:GLU38 4.4 7.9 1.0
NH2 A:ARG41 4.5 7.9 1.0
NE A:ARG41 4.7 7.4 1.0
CD A:GLU38 4.7 6.9 1.0
CZ A:ARG41 4.7 7.6 1.0

Magnesium binding site 2 out of 2 in 2wfj

Go back to Magnesium Binding Sites List in 2wfj
Magnesium binding site 2 out of 2 in the Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Atomic Resolution Crystal Structure of the Ppiase Domain of Human Cyclophilin G in Complex with Cyclosporin A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1186

b:19.4
occ:0.64
 O A:HOH2039 1.9 23.1 0.5
O A:HOH2041 2.0 19.9 0.5
O A:HOH2104 2.0 24.2 0.5
O A:HOH2103 2.1 15.5 0.5
O A:HOH2106 3.7 14.9 0.5
O A:SER53 4.4 15.9 1.0
O A:HOH2040 4.8 17.1 0.5
CB A:SER53 4.8 12.5 1.0

Reference:

C.M.Stegmann, D.Seeliger, G.M.Sheldrick, B.L.De Groot, M.C.Wahl. The Thermodynamic Influence of Trapped Water Molecules on A Protein-Ligand Interaction. Angew.Chem.Int.Ed.Engl. V. 48 5207 2009.
ISSN: ISSN 1433-7851
PubMed: 19499554
DOI: 10.1002/ANIE.200900481
Page generated: Wed Aug 14 06:06:11 2024

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