Magnesium in PDB 2ovv: Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A

Enzymatic activity of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A, PDB code: 2ovv was solved by J.Pandit, E.S.Marr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	64.55 / 2.00
*Space group*	H 3
*Cell size a, b, c (Å), α, β, γ (°)*	120.657, 120.657, 83.273, 90.00, 90.00, 120.00
*R / R_free (%)*	17.4 / 20.6

Other elements in 2ovv:

The structure of Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A (pdb code 2ovv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A, PDB code: 2ovv:

Magnesium binding site 1 out of 1 in 2ovv

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Magnesium Binding Sites List in 2ovv

Magnesium binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Rat Phosphodiesterase 10A

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 the Catalytic Domain of Rat Phosphodiesterase 10A within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg9002 b:19.3 occ:1.00	O	A:HOH1	2.0	20.3	1.0
	O	A:HOH3	2.0	20.1	1.0
	O	A:HOH5	2.1	22.6	1.0
	OD1	A:ASP554	2.1	17.9	1.0
	O	A:HOH2	2.1	20.1	1.0
	O	A:HOH4	2.1	19.3	1.0
	CG	A:ASP554	3.2	18.3	1.0
	OD2	A:ASP554	3.5	17.6	1.0
	ZN	A:ZN9001	3.7	22.9	1.0
	OE2	A:GLU582	4.0	16.5	1.0
	NE2	A:HIS585	4.0	21.0	1.0
	O	A:HOH81	4.1	39.6	1.0
	O	A:HOH65	4.1	23.9	1.0
	CD2	A:HIS553	4.1	17.4	1.0
	OG1	A:THR623	4.2	18.2	1.0
	CD2	A:HIS557	4.2	18.6	1.0
	CD2	A:HIS585	4.3	20.8	1.0
	O	A:HIS553	4.4	19.4	1.0
	NE2	A:HIS557	4.4	18.7	1.0
	O	A:THR623	4.4	17.2	1.0
	OD2	A:ASP664	4.4	28.0	1.0
	NE2	A:HIS553	4.5	18.9	1.0
	CD2	A:HIS515	4.5	23.8	1.0
	CB	A:ASP554	4.5	18.6	1.0
	CB	A:THR623	4.7	17.1	1.0
	NE2	A:HIS515	4.8	21.2	1.0
	CA	A:ASP554	4.8	19.2	1.0
	CG	A:GLU582	4.8	20.9	1.0
	CD	A:GLU582	4.8	21.7	1.0

Reference:

T.A.Chappie, J.M.Humphrey, M.P.Allen, K.G.Estep, C.B.Fox, L.A.Lebel, S.Liras, E.S.Marr, F.S.Menniti, J.Pandit, C.J.Schmidt, M.Tu, R.D.Williams, F.V.Yang. Discovery of A Series of 6,7-Dimethoxy-4-Pyrrolidylquinazoline PDE10A Inhibitors J.Med.Chem. V. 50 182 2007.
ISSN: ISSN 0022-2623
PubMed: 17228859
DOI: 10.1021/JM060653B

Page generated: Wed Aug 14 01:58:40 2024

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