Magnesium in PDB 2iyy: Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

Enzymatic activity of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

All present enzymatic activity of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4:
2.7.1.71;

Protein crystallography data

The structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4, PDB code: 2iyy was solved by M.D.Hartmann, G.P.Bourenkov, A.Oberschall, N.Strizhov, H.D.Bartunik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.16 / 1.62
*Space group*	P 3₁ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	59.349, 59.349, 102.867, 90.00, 90.00, 120.00
*R / R_free (%)*	17.5 / 23.3

Other elements in 2iyy:

The structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 (pdb code 2iyy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4, PDB code: 2iyy:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 2iyy

Go back to

Magnesium Binding Sites List in 2iyy

Magnesium binding site 1 out of 3 in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg211 b:59.8 occ:1.00	OE2	A:GLU38	2.2	38.8	1.0
	O	A:HOH2088	2.2	21.9	1.0
	O	A:HOH2063	3.1	51.5	1.0
	N	A:ILE45	3.3	20.5	1.0
	CD	A:GLU38	3.3	43.8	1.0
	OG	A:SER44	3.6	26.6	0.3
	CB	A:SER44	3.7	23.8	0.7
	CB	A:SER44	3.7	21.8	0.3
	CA	A:SER44	3.8	23.9	1.0
	OE1	A:GLU38	3.9	42.1	1.0
	CG1	A:ILE45	3.9	24.5	0.5
	CB	A:ILE45	3.9	19.9	0.5
	C	A:SER44	4.0	17.6	1.0
	O	A:HOH2085	4.1	28.7	1.0
	CB	A:ILE45	4.2	25.3	0.5
	CA	A:ILE45	4.2	19.6	0.5
	CA	A:ILE45	4.2	22.4	0.5
	O	A:HOH2164	4.2	37.0	1.0
	N	A:ALA46	4.3	20.3	1.0
	CG	A:GLU38	4.5	23.0	1.0
	CG1	A:ILE45	4.6	32.8	0.5
	OG	A:SER44	4.7	20.0	0.7
	C	A:ILE45	4.8	20.9	1.0

Magnesium binding site 2 out of 3 in 2iyy

Go back to

Magnesium Binding Sites List in 2iyy

Magnesium binding site 2 out of 3 in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg212 b:36.3 occ:0.70	OE2	A:GLU56	2.2	46.2	1.0
	CD	A:GLU56	3.1	31.3	1.0
	OE1	A:GLU56	3.2	42.0	1.0
	O	A:HOH2112	3.7	51.3	1.0
	CG1	A:ILE60	4.2	28.1	1.0
	O	A:HOH2099	4.4	24.4	0.5
	CG	A:GLU56	4.5	30.3	1.0
	CD1	A:ILE60	4.5	35.8	1.0

Magnesium binding site 3 out of 3 in 2iyy

Go back to

Magnesium Binding Sites List in 2iyy

Magnesium binding site 3 out of 3 in the Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Shikimate-3-Phosphate and SO4 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg213 b:40.9 occ:0.25	O	A:HOH2236	2.0	51.1	1.0
	O3	A:SO4205	2.2	17.8	0.2
	O1	A:SO4205	2.4	28.6	0.2
	S	A:SO4205	2.8	29.6	0.2
	NH1	A:ARG20	3.6	39.8	1.0
	CG2	A:THR17	3.8	47.3	1.0
	O4	A:SO4205	3.9	34.2	0.2
	O2	A:SO4205	3.9	36.5	0.2
	CB	A:THR17	4.0	34.3	1.0
	NE	A:ARG21	4.5	27.6	0.5
	NE	A:ARG21	4.5	66.2	0.5
	CD	A:ARG20	4.6	26.5	0.5
	CA	A:THR17	4.6	35.6	1.0
	CZ	A:ARG20	4.7	55.0	1.0
	CD	A:ARG20	4.8	53.4	0.5
	O	A:THR17	4.9	32.2	1.0
	CG	A:ARG21	5.0	24.6	0.5

Reference:

M.D.Hartmann, G.P.Bourenkov, A.Oberschall, N.Strizhov, H.D.Bartunik. Mechanism of Phosphoryl Transfer Catalyzed By Shikimate Kinase From Mycobacterium Tuberculosis. J.Mol.Biol. V. 364 411 2006.
ISSN: ISSN 0022-2836
PubMed: 17020768
DOI: 10.1016/J.JMB.2006.09.001

Page generated: Wed Aug 14 00:20:26 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy