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 / R_free (%)*	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

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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

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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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