Magnesium in PDB 5cc7: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid, PDB code: 5cc7 was solved by H.-L.Huang, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.10 / 2.12
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	79.661, 79.661, 225.834, 90.00, 90.00, 90.00
*R / R_free (%)*	18.9 / 25.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid (pdb code 5cc7). 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 Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid, PDB code: 5cc7:

Magnesium binding site 1 out of 1 in 5cc7

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Magnesium Binding Sites List in 5cc7

Magnesium binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid

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 Mycobacterium Tuberculosis Malate Synthase in Complex with 1H-Indole-6-Carboxylic Acid within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg801 b:27.9 occ:1.00	OD1	A:ASP462	2.2	20.2	1.0
	O	A:HOH934	2.2	24.7	1.0
	OE2	A:GLU434	2.3	26.9	1.0
	O	A:HOH939	2.3	20.8	1.0
	O	A:HOH1389	2.4	32.5	1.0
	O	A:HOH1304	2.4	29.2	1.0
	CG	A:ASP462	3.2	23.5	1.0
	CD	A:GLU434	3.2	22.4	1.0
	OE1	A:GLU434	3.5	20.2	1.0
	CB	A:ASP462	3.6	24.0	1.0
	O3	A:1F1802	3.9	38.5	1.0
	OD1	A:ASP274	4.0	28.9	1.0
	O	A:HOH1370	4.0	35.4	1.0
	NH1	A:ARG339	4.1	23.5	1.0
	NZ	A:LYS399	4.1	20.1	1.0
	OD2	A:ASP462	4.3	20.1	1.0
	CB	A:ALA635	4.3	21.9	1.0
	CG	A:GLU434	4.5	18.9	1.0
	O	A:HOH1311	4.5	31.7	1.0
	OE1	A:GLU273	4.5	21.9	1.0
	N	A:ASP462	4.7	25.2	1.0
	CA	A:ASP462	4.7	24.4	1.0
	CB	A:GLU434	4.8	22.9	1.0
	CG	A:ASP274	4.8	27.4	1.0

Reference:

H.-L.Huang, I.V.Krieger, V.B.Gawandi, M.Parai, J.C.Sacchettini. Crystal Structures of Fragment-Bound Malate Synthase From Mycobacterium Tuberculosis Provide Insights Into Mechanism and Potential Inhibitor Designs To Be Published.

Page generated: Sun Sep 29 02:03:19 2024

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