Manganese in PDB 5m1z: Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor

Enzymatic activity of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor

All present enzymatic activity of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor:
3.2.1.55;

Protein crystallography data

The structure of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor, PDB code: 5m1z was solved by A.Varrot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	35.06 / 2.00
*Space group*	I 4₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	105.222, 105.222, 140.234, 90.00, 90.00, 90.00
*R / R_free (%)*	14.6 / 19.2

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor (pdb code 5m1z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor, PDB code: 5m1z:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 5m1z

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Manganese Binding Sites List in 5m1z

Manganese binding site 1 out of 4 in the Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn507 b:18.4 occ:1.00	OD1	A:ASP32	2.2	19.7	1.0
	O	A:HOH662	2.2	17.5	1.0
	O	A:HOH653	2.2	17.3	1.0
	O	A:HOH739	2.3	13.1	1.0
	O	A:HOH632	2.3	18.6	1.0
	O	A:HOH834	2.3	18.9	1.0
	CG	A:ASP32	3.1	21.1	1.0
	OD2	A:ASP32	3.3	25.5	1.0
	O	A:GLY364	3.9	16.5	1.0
	O	A:HOH870	4.0	38.5	1.0
	CG2	A:THR367	4.2	15.9	1.0
	O	A:HOH604	4.3	16.3	1.0
	O	A:HOH687	4.3	24.4	1.0
	O	A:PRO33	4.4	15.1	1.0
	O	A:HOH641	4.4	25.2	1.0
	CD	A:PRO33	4.4	14.5	1.0
	O	A:HOH609	4.5	27.0	1.0
	O1	A:SO4504	4.5	36.5	1.0
	CB	A:ASP32	4.5	18.9	1.0
	O	A:ASN366	4.6	15.0	1.0
	N	A:PRO33	4.8	14.4	1.0
	O	A:HOH647	4.8	55.2	1.0
	CG	A:PRO33	4.8	14.1	1.0
	O	A:HOH807	4.9	30.1	1.0
	CA	A:ASP32	4.9	16.6	1.0

Manganese binding site 2 out of 4 in 5m1z

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Manganese Binding Sites List in 5m1z

Manganese binding site 2 out of 4 in the Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn508 b:33.4 occ:0.50	O	A:HOH644	2.1	35.4	1.0
	O	A:HOH647	2.2	55.2	1.0
	OD2	A:ASP32	2.3	25.5	1.0
	CG	A:ASP32	3.3	21.1	1.0
	CB	A:ASP32	3.7	18.9	1.0
	O	A:HOH632	3.9	18.6	1.0
	O	A:HOH609	3.9	27.0	1.0
	O	A:HOH807	4.3	30.1	1.0
	OE1	A:GLU29	4.3	25.8	1.0
	OD1	A:ASP32	4.4	19.7	1.0
	O	A:HOH877	4.9	29.2	1.0

Manganese binding site 3 out of 4 in 5m1z

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Manganese Binding Sites List in 5m1z

Manganese binding site 3 out of 4 in the Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn509 b:50.6 occ:1.00	OD1	A:ASP330	2.3	36.8	1.0
	OE2	A:GLU313	2.3	33.6	1.0
	CG	A:ASP330	3.2	30.5	1.0
	OD2	A:ASP330	3.3	38.5	1.0
	CD	A:GLU313	3.3	28.8	1.0
	CG	A:GLU313	3.6	28.8	1.0
	OE1	A:GLU313	4.4	31.7	1.0
	O	A:HOH768	4.5	24.3	1.0
	CB	A:ASP330	4.6	25.9	1.0
	CE	A:LYS328	4.8	29.8	1.0

Manganese binding site 4 out of 4 in 5m1z

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Manganese Binding Sites List in 5m1z

Manganese binding site 4 out of 4 in the Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of the Alpha-L-Arabinofuranosidase ARB93A From Fusarium Graminearum in Complex with An Hydroximolactone Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn510 b:47.2 occ:0.50	OE2	A:GLU377	1.9	37.2	1.0
	CD	A:GLU377	2.9	35.5	1.0
	OE1	A:GLU377	3.2	32.9	1.0
	O4	A:SO4502	3.8	30.6	1.0
	CG	A:GLU377	4.3	34.5	1.0
	S	A:SO4502	4.8	33.4	1.0
	CD	A:ARG374	4.9	26.0	1.0
	O1	A:SO4502	4.9	38.0	1.0

Reference:

T.Coyle, A.W.Debowski, A.Varrot, K.A.Stubbs. Exploiting Sp(2) -Hybridisation in the Development of Potent 1,5-Alpha-L-Arabinanase Inhibitors. Chembiochem V. 18 974 2017.
ISSN: ESSN 1439-7633
PubMed: 28266777
DOI: 10.1002/CBIC.201700073

Page generated: Tue Dec 15 04:43:49 2020

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