Chlorine in PDB 1wuy: Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

Enzymatic activity of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

All present enzymatic activity of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site:
2.4.1.1;

Protein crystallography data

The structure of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site, PDB code: 1wuy was solved by N.G.Oikonomakos, M.N.Kosmopoulou, E.D.Chrysina, D.D.Leonidas, T.Klabunde, K.U.Wendt, E.Defossa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.36 / 2.26
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	128.578, 128.578, 116.043, 90.00, 90.00, 90.00
*R / R_free (%)*	19.1 / 23.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site (pdb code 1wuy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site, PDB code: 1wuy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1wuy

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Chlorine Binding Sites List in 1wuy

Chlorine binding site 1 out of 3 in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl930 b:36.7 occ:1.00	CL1	A:BN3930	0.0	36.7	1.0
	C1	A:BN3930	1.7	37.0	1.0
	C2	A:BN3930	2.7	36.4	1.0
	C6	A:BN3930	2.8	37.2	1.0
	C7	A:BN3930	3.1	38.2	1.0
	O1	A:BN3930	3.3	41.2	1.0
	O	A:TRP67	3.4	26.5	1.0
	CD1	A:TRP67	3.4	20.3	1.0
	CG	A:TRP67	3.4	21.6	1.0
	CG	A:GLN71	3.5	27.7	1.0
	C	A:TRP67	3.6	26.4	1.0
	NE1	A:TRP67	3.7	20.6	1.0
	CD2	A:TRP67	3.7	21.2	1.0
	N	A:ILE68	3.8	27.6	1.0
	CE2	A:TRP67	3.9	20.0	1.0
	CB	A:TRP67	3.9	24.2	1.0
	CA	A:ILE68	3.9	26.9	1.0
	C3	A:BN3930	4.0	36.3	1.0
	N1	A:BN3930	4.0	41.0	1.0
	C5	A:BN3930	4.1	35.2	1.0
	CB	A:GLN71	4.1	27.3	1.0
	CA	A:TRP67	4.3	26.3	1.0
	O	A:HOH1185	4.3	30.0	1.0
	CG1	A:ILE68	4.4	22.4	1.0
	CE3	A:TRP67	4.5	21.9	1.0
	C4	A:BN3930	4.6	33.8	1.0
	CZ2	A:TRP67	4.7	20.8	1.0
	CD	A:GLN71	4.8	31.1	1.0
	CB	A:ILE68	4.9	24.4	1.0

Chlorine binding site 2 out of 3 in 1wuy

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Chlorine Binding Sites List in 1wuy

Chlorine binding site 2 out of 3 in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl930 b:39.2 occ:1.00	CL2	A:BN3930	0.0	39.2	1.0
	C3	A:BN3930	1.7	36.3	1.0
	C4	A:BN3930	2.7	33.8	1.0
	C2	A:BN3930	2.7	36.4	1.0
	CG	A:LYS191	3.2	36.0	1.0
	CB	A:LYS191	3.4	34.4	1.0
	CH2	A:TRP67	3.7	22.6	1.0
	CZ3	A:TRP67	3.8	21.6	1.0
	CD	A:ARG193	3.8	37.5	1.0
	C5	A:BN3930	4.0	35.2	1.0
	C1	A:BN3930	4.0	37.0	1.0
	CB	A:ASP227	4.2	21.9	1.0
	CD	A:LYS191	4.3	41.0	1.0
	NE	A:ARG193	4.3	37.9	1.0
	CZ2	A:TRP67	4.4	20.8	1.0
	CE3	A:TRP67	4.5	21.9	1.0
	C6	A:BN3930	4.5	37.2	1.0
	OD1	A:ASP227	4.6	23.8	1.0
	O	A:LYS191	4.7	27.4	1.0
	CA	A:LYS191	4.7	29.2	1.0
	CG	A:ARG193	4.8	34.8	1.0
	CZ	A:ARG193	4.8	41.4	1.0
	O	A:ASP227	4.8	23.9	1.0
	NH1	A:ARG193	4.9	41.6	1.0
	CG	A:ASP227	4.9	22.2	1.0
	C	A:LYS191	5.0	28.5	1.0

Chlorine binding site 3 out of 3 in 1wuy

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Chlorine Binding Sites List in 1wuy

Chlorine binding site 3 out of 3 in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl930 b:51.5 occ:1.00	CL3	A:BN3930	0.0	51.5	1.0
	C14	A:BN3930	1.7	52.5	1.0
	C13	A:BN3930	2.7	56.0	1.0
	C9	A:BN3930	2.8	53.0	1.0
	N2	A:BN3930	3.0	49.3	1.0
	O1	A:BN3930	3.5	41.2	1.0
	O	A:GLN71	3.7	30.9	1.0
	C	A:GLN71	3.8	29.5	1.0
	CB	A:GLN71	3.9	27.3	1.0
	N	A:GLN72	4.0	32.5	1.0
	C12	A:BN3930	4.0	59.3	1.0
	CA	A:GLN72	4.1	35.1	1.0
	C10	A:BN3930	4.1	54.7	1.0
	C8	A:BN3930	4.4	44.5	1.0
	CA	A:GLN71	4.5	28.2	1.0
	C11	A:BN3930	4.5	57.2	1.0
	C7	A:BN3930	4.6	38.2	1.0
	CB	A:GLN72	4.7	38.4	1.0
	O	A:HOH1185	4.8	30.0	1.0
	CB	A:TYR75	4.8	48.1	1.0
	N1	A:BN3930	4.9	41.0	1.0
	O	A:HOH1163	4.9	55.2	1.0

Reference:

N.G.Oikonomakos, M.N.Kosmopoulou, E.D.Chrysina, D.D.Leonidas, I.D.Kostas, K.U.Wendt, T.Klabunde, E.Defossa. Crystallographic Studies on Acyl Ureas, A New Class of Glycogen Phosphorylase Inhibitors, As Potential Antidiabetic Drugs Protein Sci. V. 14 1760 2005.
ISSN: ISSN 0961-8368
PubMed: 15987904
DOI: 10.1110/PS.051432405

Page generated: Sat Dec 12 08:54:04 2020

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