Sodium in PDB 7me8: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution, PDB code: 7me8 was solved by E.Hilario, M.F.Dunn, L.J.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	39.39 / 1.60
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	183.404, 59.57, 67.279, 90, 95.04, 90
*R / R_free (%)*	21 / 24.6

Other elements in 7me8:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution (pdb code 7me8). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution, PDB code: 7me8:

Sodium binding site 1 out of 1 in 7me8

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Sodium Binding Sites List in 7me8

Sodium binding site 1 out of 1 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Na404 b:11.7 occ:1.00	O	B:GLY232	2.3	11.3	1.0
	O	B:SER308	2.3	12.6	1.0
	O	B:HOH722	2.3	12.0	1.0
	O	B:PHE306	2.4	14.9	1.0
	O	B:HOH574	2.5	14.9	1.0
	C	B:GLY232	3.4	10.2	1.0
	C	B:SER308	3.5	12.5	1.0
	C	B:PHE306	3.6	12.7	1.0
	CG	B:PRO270	3.8	10.3	1.0
	CD	B:PRO270	3.9	11.9	1.0
	N	B:SER308	4.0	13.2	1.0
	CA	B:GLY232	4.1	9.9	1.0
	O	B:GLY268	4.2	10.5	1.0
	O	B:LEU304	4.2	17.3	1.0
	CB	B:PHE306	4.3	15.4	1.0
	CA	B:SER308	4.3	13.0	1.0
	CA	B:PHE306	4.4	15.1	1.0
	CD2	B:PHE306	4.4	13.3	1.0
	C	B:PRO307	4.5	16.3	1.0
	O	B:VAL231	4.5	11.4	1.0
	N	B:VAL309	4.5	11.9	1.0
	N	B:GLY233	4.5	10.3	1.0
	N	B:PRO307	4.5	16.2	1.0
	N	B:PHE306	4.5	14.8	1.0
	OG	B:SER297	4.5	15.2	1.0
	CA	B:VAL309	4.6	10.6	1.0
	CA	B:PRO307	4.6	13.3	1.0
	CB	B:VAL309	4.7	11.5	1.0
	CG	B:PHE306	4.7	14.5	1.0
	CA	B:GLY233	4.8	9.9	1.0
	OE2	B:GLU256	4.8	12.1	1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution. To Be Published.

Page generated: Tue Oct 8 17:57:42 2024

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