Calcium in PDB 4y6p: Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese

Enzymatic activity of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese

All present enzymatic activity of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese:
1.1.1.267;

Protein crystallography data

The structure of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese, PDB code: 4y6p was solved by S.Sooriyaarachchi, T.Bergfors, T.A.Jones, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	48.47 / 1.90
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	51.384, 55.759, 85.433, 103.18, 102.83, 100.91
*R / R_free (%)*	16.5 / 19.6

Other elements in 4y6p:

The structure of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese (pdb code 4y6p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese, PDB code: 4y6p:

Calcium binding site 1 out of 1 in 4y6p

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Calcium Binding Sites List in 4y6p

Calcium binding site 1 out of 1 in the Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC177, and Manganese within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca503 b:15.8 occ:1.00	O	B:LEU241	2.3	15.5	1.0
	O	B:HOH728	2.3	24.6	1.0
	O	B:GLN239	2.3	11.8	1.0
	O	A:HOH691	2.4	17.8	1.0
	O	A:HOH714	2.5	20.4	1.0
	OD1	A:ASP242	2.5	18.8	1.0
	O	B:HOH737	2.5	22.8	1.0
	CG	A:ASP242	3.3	19.2	1.0
	C	B:GLN239	3.4	11.6	1.0
	C	B:LEU241	3.5	15.0	1.0
	OD2	A:ASP242	3.6	21.5	1.0
	N	B:LEU241	3.9	13.5	1.0
	C	B:CYS240	4.0	13.3	1.0
	CA	B:GLN239	4.3	11.3	1.0
	N	B:CYS240	4.3	12.0	1.0
	CA	B:LEU241	4.3	14.2	1.0
	O	B:CYS240	4.4	13.7	1.0
	CA	B:CYS240	4.4	13.1	1.0
	N	B:ASP242	4.4	15.7	1.0
	O	B:HOH703	4.5	17.2	1.0
	CA	B:ASP242	4.6	16.1	1.0
	O	B:PHE238	4.6	10.8	1.0
	CB	A:ASP242	4.6	18.4	1.0
	O	A:CYS240	4.6	14.1	1.0
	N	B:ASN243	4.7	14.7	1.0
	ND2	B:ASN243	4.7	12.6	1.0
	CA	A:ASP242	4.8	17.2	1.0
	OH	B:TYR366	4.8	12.6	1.0
	N	A:ASP242	4.9	17.5	1.0
	CG	B:ASN243	4.9	13.2	1.0
	O	A:LEU241	5.0	17.9	1.0

Reference:

R.Chofor, S.Sooriyaarachchi, M.D.Risseeuw, T.Bergfors, J.Pouyez, C.Johny, A.Haymond, A.Everaert, C.S.Dowd, L.Maes, T.Coenye, A.Alex, R.D.Couch, T.A.Jones, J.Wouters, S.L.Mowbray, S.Van Calenbergh. Synthesis and Bioactivity of Beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25781377
DOI: 10.1021/JM5014264

Page generated: Sun Jul 14 14:48:42 2024

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