Magnesium in PDB 4g3s: Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

Enzymatic activity of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

All present enzymatic activity of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2:
2.3.1.157; 2.7.7.23;

Protein crystallography data

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2, PDB code: 4g3s was solved by P.A.Jagtap, S.K.Verma, B.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.94 / 2.04
*Space group*	H 3
*Cell size a, b, c (Å), α, β, γ (°)*	76.580, 76.580, 276.970, 90.00, 90.00, 120.00
*R / R_free (%)*	18 / 23

Other elements in 4g3s:

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 (pdb code 4g3s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2, PDB code: 4g3s:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4g3s

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Magnesium Binding Sites List in 4g3s

Magnesium binding site 1 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

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 Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg504 b:12.0 occ:0.33	O	A:HOH606	1.8	29.4	1.0
	OD1	A:ASP417	2.6	23.4	1.0
	CG	A:ASP417	3.2	26.2	1.0
	CO	A:CO507	3.3	41.1	0.3
	OD2	A:ASP417	3.6	28.5	1.0
	OG	A:SER392	4.2	26.6	1.0
	CB	A:ASP417	4.3	22.7	1.0
	O	A:SER392	4.7	22.8	1.0
	CA	A:ASP417	5.0	24.1	1.0

Magnesium binding site 2 out of 3 in 4g3s

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Magnesium Binding Sites List in 4g3s

Magnesium binding site 2 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg505 b:31.1 occ:0.53	MG	A:MG505	0.0	31.1	0.5
	O	A:HOH969	2.1	37.3	1.0
	O6	A:POP503	2.3	20.9	0.5
	O3	A:POP503	2.5	24.6	0.5
	O	A:HOH782	2.8	29.8	0.5
	O6	A:POP503	2.9	20.3	0.5
	O	A:HOH970	3.0	24.6	1.0
	P2	A:POP503	3.3	25.4	0.5
	O5	A:POP503	3.3	20.1	0.5
	O	A:HOH957	3.4	39.6	1.0
	NH2	A:ARG19	3.6	24.6	1.0
	NE	A:ARG19	3.6	24.8	1.0
	CZ	A:ARG19	3.7	26.4	1.0
	P1	A:POP503	3.7	28.9	0.5
	P2	A:POP503	3.7	26.3	0.5
	O4	A:POP503	3.8	25.3	0.5
	MG	A:MG505	3.8	27.7	0.5
	O	A:POP503	4.0	24.7	0.5
	NE2	A:GLN205	4.0	40.1	1.0
	O5	A:POP503	4.0	24.5	0.5
	O1	A:POP503	4.1	28.2	0.5
	O	A:HOH829	4.3	54.4	1.0
	CD	A:ARG19	4.4	22.0	1.0
	NH1	A:ARG19	4.4	22.5	1.0
	O4	A:POP503	4.6	22.7	0.5
	O1A	A:UD1501	4.9	31.9	1.0
	O2	A:POP503	4.9	25.1	0.5
	CD	A:GLN205	4.9	39.3	1.0
	OG1	A:THR18	5.0	32.9	1.0

Magnesium binding site 3 out of 3 in 4g3s

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Magnesium Binding Sites List in 4g3s

Magnesium binding site 3 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg505 b:27.7 occ:0.47	MG	A:MG505	0.0	27.7	0.5
	O	A:HOH970	1.8	24.6	1.0
	O1A	A:UD1501	2.0	31.9	1.0
	O	A:HOH969	2.1	37.3	1.0
	O3	A:POP503	2.2	25.1	0.5
	O	A:HOH971	2.3	30.1	1.0
	O6	A:POP503	2.3	20.3	0.5
	O3	A:POP503	2.5	24.6	0.5
	P1	A:POP503	3.3	24.6	0.5
	PA	A:UD1501	3.5	29.5	1.0
	O1	A:POP503	3.5	25.8	0.5
	P2	A:POP503	3.6	26.3	0.5
	P1	A:POP503	3.6	28.9	0.5
	O2	A:POP503	3.6	25.1	0.5
	O6	A:POP503	3.7	20.9	0.5
	MG	A:MG505	3.8	31.1	0.5
	O	A:POP503	3.9	24.8	0.5
	O5B	A:UD1501	4.0	23.6	1.0
	NH2	A:ARG19	4.1	24.6	1.0
	O4	A:POP503	4.2	25.3	0.5
	O3A	A:UD1501	4.3	21.7	1.0
	OE1	A:GLU207	4.4	35.9	1.0
	O	A:POP503	4.4	24.7	0.5
	O2B	A:UD1501	4.5	26.0	1.0
	OE2	A:GLU207	4.5	33.1	1.0
	O2A	A:UD1501	4.5	33.2	1.0
	C5	A:UD1501	4.6	30.8	1.0
	O2	A:POP503	4.6	25.3	0.5
	NE2	A:GLN205	4.6	40.1	1.0
	C6	A:UD1501	4.7	26.6	1.0
	O5	A:POP503	4.7	24.5	0.5
	P2	A:POP503	4.7	25.4	0.5
	O1	A:POP503	4.8	28.2	0.5
	CD	A:GLU207	4.9	35.8	1.0
	CD	A:PRO16	5.0	26.6	1.0

Reference:

P.A.Jagtap, S.K.Verma, B.Prakash. Structural Snapshots of Glmu From Mycobacterium Tuberculosis To Be Published.

Page generated: Fri Aug 16 15:22:26 2024

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