Caesium in PDB 7kwv: The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

Enzymatic activity of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

All present enzymatic activity of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution, PDB code: 7kwv 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)*	28.76 / 1.30
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	184.189, 59.73, 67.54, 90, 94.63, 90
*R / R_free (%)*	15.8 / 19.9

Other elements in 7kwv:

The structure of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Fluorine	(F)	3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution (pdb code 7kwv). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution, PDB code: 7kwv:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 7kwv

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Caesium Binding Sites List in 7kwv

Caesium binding site 1 out of 3 in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cs508 b:16.2 occ:0.63	CS	B:CS508	0.0	16.2	0.6
	CS	B:CS508	1.8	17.4	0.4
	O	B:PHE306	3.0	15.4	1.0
	O	B:GLY268	3.0	11.1	1.0
	O	B:GLY232	3.2	16.1	1.0
	O	B:SER308	3.3	13.0	1.0
	O	B:LEU304	3.5	13.7	1.0
	O	B:VAL231	3.7	12.8	1.0
	C	B:GLY232	3.8	12.4	1.0
	CA	B:GLY232	3.9	12.4	1.0
	C	B:PHE306	4.0	14.1	1.0
	C	B:GLY268	4.1	10.1	1.0
	CD	B:PRO270	4.2	13.5	1.0
	CB	B:PHE306	4.2	17.2	1.0
	CD	B:PRO257	4.4	9.9	1.0
	N	B:PHE306	4.4	13.9	1.0
	C	B:SER308	4.5	11.2	1.0
	CA	B:PHE306	4.5	14.9	1.0
	C	B:VAL231	4.5	11.8	1.0
	C	B:LEU304	4.5	11.2	1.0
	CG	B:PRO270	4.6	15.8	1.0
	CG	B:PRO257	4.6	9.7	1.0
	CA	B:GLY268	4.6	10.9	1.0
	CD2	B:PHE306	4.7	18.7	1.0
	N	B:GLY232	4.7	11.8	1.0
	N	B:SER308	4.8	12.4	1.0
	OE2	B:GLU256	4.9	15.9	1.0
	N	B:GLY233	4.9	13.2	1.0
	CG	B:PHE306	5.0	18.1	1.0

Caesium binding site 2 out of 3 in 7kwv

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Caesium Binding Sites List in 7kwv

Caesium binding site 2 out of 3 in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cs508 b:17.4 occ:0.37	CS	B:CS508	0.0	17.4	0.4
	CS	B:CS508	1.8	16.2	0.6
	O	B:GLY232	3.1	16.1	1.0
	O	B:GLY268	3.3	11.1	1.0
	O	B:VAL231	3.3	12.8	1.0
	O	B:SER308	3.3	13.0	1.0
	OE2	B:GLU256	3.3	15.9	1.0
	CD	B:PRO270	3.8	13.5	1.0
	C	B:GLY232	4.0	12.4	1.0
	CG	B:PRO270	4.0	15.8	1.0
	CB	B:VAL309	4.1	13.1	1.0
	C	B:VAL231	4.1	11.8	1.0
	CG2	B:VAL309	4.2	14.7	1.0
	CD	B:GLU256	4.2	14.8	1.0
	CG1	B:VAL231	4.2	12.1	1.0
	CG	B:GLU256	4.3	14.2	1.0
	CA	B:GLY232	4.3	12.4	1.0
	C	B:SER308	4.3	11.2	1.0
	C	B:GLY268	4.4	10.1	1.0
	O	B:PHE306	4.4	15.4	1.0
	CD	B:PRO257	4.6	9.9	1.0
	CA	B:VAL309	4.6	11.9	1.0
	CB	B:GLU256	4.6	11.1	1.0
	N	B:GLY232	4.6	11.8	1.0
	CB	B:VAL231	4.8	11.4	1.0
	N	B:PRO270	4.9	12.1	1.0
	N	B:VAL309	4.9	11.8	1.0
	CA	B:ALA269	5.0	10.0	1.0

Caesium binding site 3 out of 3 in 7kwv

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Caesium Binding Sites List in 7kwv

Caesium binding site 3 out of 3 in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cs509 b:25.7 occ:0.56	O	B:HOH946	2.8	55.8	1.0
	O	B:THR71	3.0	13.6	1.0
	O	B:HOH681	3.1	42.7	1.0
	O	B:THR69	3.2	16.4	1.0
	O	B:THR66	3.2	16.5	1.0
	OG1	B:THR66	3.4	17.4	1.0
	O	B:HOH989	3.6	43.8	1.0
	CB	B:THR66	3.8	14.8	1.0
	C	B:THR66	3.9	15.2	1.0
	C	B:THR71	4.1	11.4	1.0
	C	B:THR69	4.2	13.3	1.0
	OG1	B:THR69	4.2	12.5	1.0
	N	B:THR71	4.5	11.9	1.0
	CA	B:THR66	4.5	14.2	1.0
	O	B:HOH898	4.6	45.9	1.0
	N	B:THR69	4.6	16.2	1.0
	N	B:ALA67	4.7	15.8	1.0
	O	B:HOH798	4.7	16.7	1.0
	CA	B:ALA67	4.8	18.3	1.0
	C	B:ARG70	4.9	12.4	0.5
	CA	B:THR69	4.9	13.6	1.0
	N	B:THR72	4.9	11.2	1.0
	CA	B:THR71	4.9	11.2	1.0
	C	B:ARG70	4.9	12.6	0.5
	N	B:ARG70	5.0	12.8	0.5
	N	B:ARG70	5.0	12.6	0.5
	CA	B:ARG70	5.0	12.6	0.5
	CA	B:ARG70	5.0	12.7	0.5

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution. To Be Published.

Page generated: Tue Jul 30 21:14:29 2024

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