Caesium in PDB 7ki7: The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

Enzymatic activity of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

All present enzymatic activity of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7ki7 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)*	29.71 / 1.75
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	182.703, 59.419, 67.358, 90, 94.72, 90
*R / R_free (%)*	18.9 / 23.6

Other elements in 7ki7:

The structure of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site also contains other interesting chemical elements:

Chlorine	(Cl)	11 atoms
Fluorine	(F)	3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site (pdb code 7ki7). 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 External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7ki7:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 7ki7

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Caesium Binding Sites List in 7ki7

Caesium binding site 1 out of 3 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

Mono view

Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cs401 b:28.2 occ:0.76	O	B:THR71	3.0	17.8	1.0
	O	B:THR69	3.0	23.4	1.0
	O	B:HOH799	3.1	63.6	1.0
	O	B:HOH601	3.2	34.6	1.0
	O	B:THR66	3.2	25.9	1.0
	OG1	B:THR66	3.3	20.5	1.0
	O	B:HOH746	3.6	46.8	1.0
	C	B:THR66	3.9	22.7	1.0
	CB	B:THR66	3.9	16.6	1.0
	O	B:HOH780	4.0	35.3	1.0
	C	B:THR69	4.0	21.1	1.0
	C	B:THR71	4.1	19.4	1.0
	OG1	B:THR69	4.3	20.1	1.0
	N	B:THR71	4.5	15.8	1.0
	CA	B:THR66	4.6	21.0	1.0
	N	B:ALA67	4.6	23.1	1.0
	N	B:THR69	4.6	21.9	1.0
	CA	B:ALA67	4.7	22.0	1.0
	O	B:HOH607	4.7	19.6	1.0
	C	B:ARG70	4.8	19.4	0.4
	CA	B:ARG70	4.8	17.9	0.6
	N	B:ARG70	4.8	18.9	0.4
	N	B:ARG70	4.8	18.9	0.6
	CA	B:ARG70	4.8	18.0	0.4
	C	B:ARG70	4.9	19.9	0.6
	CA	B:THR69	4.9	20.6	1.0
	CA	B:THR71	4.9	13.1	1.0
	N	B:THR72	5.0	17.5	1.0

Caesium binding site 2 out of 3 in 7ki7

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Caesium Binding Sites List in 7ki7

Caesium binding site 2 out of 3 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

Mono view

Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cs402 b:24.9 occ:0.38	CS	B:CS402	0.0	24.9	0.4
	CS	B:CS402	1.8	31.5	0.6
	O	B:GLY232	3.0	33.3	1.0
	OE2	B:GLU256	3.2	20.7	1.0
	O	B:VAL231	3.2	21.3	1.0
	O	B:GLY268	3.3	18.4	1.0
	O	B:SER308	3.3	22.1	1.0
	CD	B:PRO270	3.6	20.7	1.0
	CG	B:GLU256	3.9	18.9	1.0
	C	B:GLY232	3.9	25.6	1.0
	CD	B:GLU256	4.0	20.8	1.0
	CG1	B:VAL231	4.0	20.2	1.0
	CG	B:PRO270	4.0	15.5	1.0
	C	B:VAL231	4.1	19.2	1.0
	CA	B:GLY232	4.2	22.0	1.0
	CB	B:VAL309	4.2	20.1	1.0
	CG2	B:VAL309	4.4	21.1	1.0
	O	B:PHE306	4.4	46.2	1.0
	C	B:SER308	4.4	21.5	1.0
	C	B:GLY268	4.5	16.3	1.0
	CD	B:PRO257	4.5	14.1	1.0
	N	B:GLY232	4.5	17.9	1.0
	CB	B:GLU256	4.7	20.1	1.0
	CB	B:VAL231	4.7	17.2	1.0
	CA	B:VAL309	4.8	14.3	1.0
	N	B:PRO270	4.8	17.0	1.0
	CA	B:ALA269	5.0	17.2	1.0

Caesium binding site 3 out of 3 in 7ki7

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Caesium Binding Sites List in 7ki7

Caesium binding site 3 out of 3 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

Mono view

Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cs402 b:31.5 occ:0.62	CS	B:CS402	0.0	31.5	0.6
	CS	B:CS402	1.8	24.9	0.4
	O	B:PHE306	2.9	46.2	1.0
	O	B:GLY268	3.1	18.4	1.0
	O	B:GLY232	3.1	33.3	1.0
	O	B:SER308	3.4	22.1	1.0
	O	B:LEU304	3.6	24.4	1.0
	O	B:VAL231	3.7	21.3	1.0
	C	B:GLY232	3.7	25.6	1.0
	CA	B:GLY232	3.8	22.0	1.0
	CD	B:PRO270	4.0	20.7	1.0
	C	B:PHE306	4.1	51.5	1.0
	C	B:GLY268	4.1	16.3	1.0
	CD	B:PRO257	4.3	14.1	1.0
	N	B:PHE306	4.5	40.9	1.0
	CG	B:PRO270	4.5	15.5	1.0
	C	B:VAL231	4.5	19.2	1.0
	CD2	B:PHE306	4.6	49.0	1.0
	C	B:SER308	4.6	21.5	1.0
	CB	B:PHE306	4.6	37.3	1.0
	CA	B:PHE306	4.6	48.8	1.0
	C	B:LEU304	4.6	24.7	1.0
	N	B:GLY232	4.7	17.9	1.0
	CG	B:PRO257	4.7	14.3	1.0
	CA	B:GLY268	4.7	16.4	1.0
	OE2	B:GLU256	4.7	20.7	1.0
	N	B:SER308	4.8	22.8	1.0
	N	B:GLY233	4.9	19.4	1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site. To Be Published.

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