Fluorine in PDB 7kh6: 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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: 7kh6 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)*	36.81 / 1.45
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	182.516, 58.931, 67.555, 90, 94.88, 90
*R / R_free (%)*	15.8 / 20.1

Other elements in 7kh6:

The structure of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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)	3 atoms
Caesium	(Cs)	4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 7kh6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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: 7kh6:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7kh6

Go back to

Fluorine Binding Sites List in 7kh6

Fluorine binding site 1 out of 3 in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 Fluorine with other atoms in the F binding site number 1 of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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
A:F308 b:16.1 occ:0.82	F9F	A:F9F308	0.0	16.1	0.8
	C8	A:F9F308	1.3	17.0	0.8
	F10	A:F9F308	2.1	14.9	0.8
	O7	A:F9F308	2.1	17.2	0.8
	F11	A:F9F308	2.2	17.9	0.8
	O	A:HOH525	3.1	14.9	1.0
	O	A:HOH665	3.2	19.1	1.0
	O	A:ALA129	3.3	12.9	1.0
	O	B:HOH722	3.4	13.9	1.0
	CB	B:PRO18	3.5	13.4	1.0
	C1	A:F9F308	3.5	15.4	0.8
	CB	A:ALA59	3.7	16.7	1.0
	CG	B:PRO18	4.0	13.3	1.0
	CB	A:ALA129	4.1	14.2	1.0
	C	A:ALA129	4.1	11.8	1.0
	O	A:HOH509	4.1	24.2	1.0
	C2	A:F9F308	4.1	14.2	0.8
	CA	A:ALA129	4.2	10.9	1.0
	CA	B:PRO18	4.2	12.8	1.0
	C6	A:F9F308	4.5	15.1	0.8
	CG1	A:ILE153	4.8	19.2	1.0
	CZ	A:PHE212	4.8	13.9	1.0
	CD1	A:ILE153	4.9	23.1	1.0
	N	B:GLN19	4.9	9.9	1.0

Fluorine binding site 2 out of 3 in 7kh6

Go back to

Fluorine Binding Sites List in 7kh6

Fluorine binding site 2 out of 3 in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 Fluorine with other atoms in the F binding site number 2 of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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
A:F308 b:14.9 occ:0.82	F10	A:F9F308	0.0	14.9	0.8
	C8	A:F9F308	1.3	17.0	0.8
	F9F	A:F9F308	2.1	16.1	0.8
	F11	A:F9F308	2.1	17.9	0.8
	O7	A:F9F308	2.2	17.2	0.8
	C1	A:F9F308	2.9	15.4	0.8
	C2	A:F9F308	2.9	14.2	0.8
	O	A:HOH525	3.2	14.9	1.0
	CD2	A:LEU127	3.4	13.5	1.0
	CA	A:ALA129	3.4	10.9	1.0
	CD1	A:ILE153	3.5	23.1	1.0
	CG1	A:ILE153	3.6	19.2	1.0
	O	A:ALA129	3.6	12.9	1.0
	CB	A:ALA129	3.6	14.2	1.0
	C	A:ALA129	4.0	11.8	1.0
	C6	A:F9F308	4.1	15.1	0.8
	C3	A:F9F308	4.2	15.1	0.8
	O	A:HOH518	4.3	25.3	1.0
	O	B:HOH722	4.5	13.9	1.0
	N	A:ALA129	4.6	10.1	1.0
	CG	A:LEU127	4.6	11.9	1.0
	CD1	A:LEU127	4.7	13.9	1.0
	O	A:HOH665	4.8	19.1	1.0
	CB	A:ILE153	4.9	18.6	1.0
	O	A:VAL128	4.9	11.4	1.0

Fluorine binding site 3 out of 3 in 7kh6

Go back to

Fluorine Binding Sites List in 7kh6

Fluorine binding site 3 out of 3 in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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 Fluorine with other atoms in the F binding site number 3 of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase 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
A:F308 b:17.9 occ:0.82	F11	A:F9F308	0.0	17.9	0.8
	C8	A:F9F308	1.3	17.0	0.8
	F10	A:F9F308	2.1	14.9	0.8
	F9F	A:F9F308	2.2	16.1	0.8
	O7	A:F9F308	2.2	17.2	0.8
	C2	A:F9F308	2.9	14.2	0.8
	C1	A:F9F308	2.9	15.4	0.8
	O	A:HOH665	3.2	19.1	1.0
	CD1	A:ILE153	3.4	23.1	1.0
	O	B:HOH722	3.6	13.9	1.0
	CG1	A:ILE153	3.8	19.2	1.0
	CZ	A:PHE212	3.8	13.9	1.0
	O	A:HOH525	4.0	14.9	1.0
	CD2	A:LEU177	4.1	25.2	1.0
	CE1	A:PHE212	4.1	15.6	1.0
	C3	A:F9F308	4.2	15.1	0.8
	C6	A:F9F308	4.2	15.1	0.8
	CG2	A:ILE153	4.3	20.6	1.0
	CG	A:LEU177	4.5	22.3	1.0
	CD1	A:LEU177	4.5	20.0	1.0
	CB	A:ILE153	4.6	18.6	1.0
	CE2	A:PHE212	4.7	16.3	1.0
	O	A:HOH509	5.0	24.2	1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase 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.

Page generated: Fri Aug 2 08:18:57 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0

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