Magnesium in PDB 3cuz: Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

Enzymatic activity of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

All present enzymatic activity of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design:
2.3.3.9;

Protein crystallography data

The structure of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design, PDB code: 3cuz was solved by J.R.Lohman, S.J.Remington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.61 / 1.04
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	52.077, 73.888, 71.739, 90.00, 98.03, 90.00
*R / R_free (%)*	15.3 / 16.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design (pdb code 3cuz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design, PDB code: 3cuz:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3cuz

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Magnesium Binding Sites List in 3cuz

Magnesium binding site 1 out of 4 in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg1 b:7.7 occ:1.00	OE1	A:GLU250	2.1	7.8	1.0
	O	A:HOH912	2.1	9.5	1.0
	O	A:HOH652	2.1	7.5	1.0
	OD2	A:ASP278	2.1	8.2	1.0
	O	A:HOH541	2.1	8.7	1.0
	O	A:HOH680	2.1	11.8	1.0
	CD	A:GLU250	3.1	6.8	1.0
	CG	A:ASP278	3.1	7.8	1.0
	OE2	A:GLU250	3.5	7.2	1.0
	CB	A:ASP278	3.5	7.6	1.0
	OD2	A:ASP120	4.0	5.4	0.5
	NZ	A:LYS215	4.1	7.9	1.0
	O	A:HOH1040	4.1	19.4	1.0
	O	A:HOH567	4.1	14.0	1.0
	O	A:HOH637	4.1	13.5	1.0
	NH2	A:ARG166	4.1	8.8	1.0
	OD1	A:ASP278	4.2	9.0	1.0
	CG	A:GLU250	4.3	6.9	1.0
	O	A:HOH1152	4.4	5.3	0.3
	OE1	A:GLU119	4.5	7.5	1.0
	CB	A:ALA449	4.6	8.8	1.0
	CB	A:GLU250	4.7	6.7	1.0
	CG	A:ASP120	4.7	5.7	0.5
	CA	A:ASP278	4.8	7.2	1.0
	CZ	A:ARG166	4.9	8.4	1.0
	NH1	A:ARG166	4.9	8.9	1.0
	N	A:ASP278	5.0	7.5	1.0

Magnesium binding site 2 out of 4 in 3cuz

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Magnesium Binding Sites List in 3cuz

Magnesium binding site 2 out of 4 in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg534 b:12.5 occ:0.50	CE	A:LYS157	1.4	14.4	0.5
	NZ	A:LYS157	1.5	14.8	0.5
	O	A:HOH1161	2.2	12.7	0.5
	O	A:HOH1160	2.2	12.6	0.5
	O	A:HOH1159	2.2	13.3	0.5
	O	A:HOH1163	2.2	13.2	0.5
	O	A:HOH1162	2.2	13.2	0.5
	O	A:HOH1164	2.2	11.4	0.5
	CD	A:LYS157	2.7	13.9	0.5
	CG	A:LYS157	3.6	14.2	0.5
	O	A:ASN159	3.8	13.4	1.0
	O	A:ASN108	4.1	9.8	1.0
	O	A:ALA109	4.2	9.4	1.0
	O	A:HOH1125	4.3	22.9	1.0
	O	A:PRO158	4.4	14.2	1.0
	OD1	A:ASN110	4.6	12.7	0.5
	C	A:ASN108	4.6	9.2	1.0
	O	A:HOH1120	4.7	33.2	1.0
	C	A:ASN159	4.7	13.2	1.0
	O	A:LEU107	4.7	8.7	1.0
	CA	A:ASN108	4.9	8.8	1.0
	CA	A:PRO160	4.9	11.2	1.0
	CB	A:LYS157	5.0	13.4	1.0

Magnesium binding site 3 out of 4 in 3cuz

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Magnesium Binding Sites List in 3cuz

Magnesium binding site 3 out of 4 in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg535 b:16.2 occ:0.80	O	A:HOH1166	2.2	15.7	0.8
	O	A:HOH1167	2.2	16.4	0.8
	O	A:HOH1170	2.2	17.0	0.8
	O	A:HOH1165	2.2	16.9	0.8
	O	A:HOH1168	2.2	16.6	0.8
	O	A:HOH1169	2.2	15.5	0.8
	OG	A:SER226	3.7	6.5	0.2
	OD2	A:ASP267	3.8	11.3	1.0
	OG	A:SER230	4.0	9.0	1.0
	O	A:HOH876	4.0	15.6	1.0
	O	A:HOH914	4.1	14.7	1.0
	O	A:HOH939	4.1	18.0	1.0
	O	A:HOH1091	4.1	19.0	1.0
	OG	A:SER226	4.4	7.1	0.5
	O	A:HOH738	4.5	12.6	1.0
	OG	A:SER226	4.5	7.2	0.2
	O	A:HOH961	4.5	6.8	0.5
	O	A:HOH568	4.7	11.4	1.0
	NE	A:ARG240	5.0	7.7	1.0
	CB	A:SER226	5.0	7.0	0.2
	CB	A:SER226	5.0	6.7	0.2
	CB	A:SER230	5.0	7.0	1.0

Magnesium binding site 4 out of 4 in 3cuz

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Magnesium Binding Sites List in 3cuz

Magnesium binding site 4 out of 4 in the Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Atomic Resolution Structures of Escherichia Coli and Bacillis Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure Based Drug Design within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg536 b:24.6 occ:1.00	O	A:HOH1155	2.0	20.6	1.0
	O	A:HOH1156	2.0	28.7	1.0
	O	A:HOH1158	2.0	28.2	1.0
	O	A:HOH1157	2.2	24.9	1.0
	NE2	A:HIS39	2.3	13.0	1.0
	CE1	A:HIS39	3.1	12.1	1.0
	CD2	A:HIS39	3.3	11.7	1.0
	ND1	A:HIS39	4.3	11.4	1.0
	CG	A:HIS39	4.4	9.9	1.0
	O	A:HOH1084	4.5	26.0	1.0
	OH	A:TYR231	4.8	10.9	1.0
	CE1	A:TYR231	4.8	9.6	1.0

Reference:

J.R.Lohman, A.C.Olson, S.J.Remington. Atomic Resolution Structures of Escherichia Coli and Bacillus Anthracis Malate Synthase A: Comparison with Isoform G and Implications For Structure-Based Drug Discovery Protein Sci. V. 17 1935 2008.
ISSN: ISSN 0961-8368
PubMed: 18714089
DOI: 10.1110/PS.036269.108

Page generated: Sun Aug 10 19:44:40 2025

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