Chlorine 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:

Fluorine	(F)	3 atoms
Caesium	(Cs)	4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7kh6

Go back to

Chlorine Binding Sites List in 7kh6

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl310 b:32.7 occ:1.00	O	A:HOH502	2.9	67.5	1.0
	O	A:ALA167	3.1	22.6	1.0
	O	A:GLY170	3.2	26.0	1.0
	O	A:HOH496	3.2	43.2	1.0
	O	A:HIS204	3.6	22.6	1.0
	O	A:HOH560	3.9	41.5	0.5
	N	A:ALA206	4.1	16.9	1.0
	CD	A:ARG171	4.3	26.4	1.0
	O	A:SER168	4.3	28.8	0.7
	C	A:ALA167	4.3	20.0	1.0
	NH2	A:ARG171	4.3	34.1	1.0
	C	A:GLY170	4.3	20.8	1.0
	C	A:ALA205	4.4	17.2	1.0
	CA	A:ALA205	4.5	18.6	1.0
	C	A:HIS204	4.6	22.5	1.0
	O	A:SER168	4.7	24.8	0.3
	NE	A:ARG171	4.8	34.5	1.0
	C	A:SER168	4.8	23.9	0.7
	CZ	A:ARG171	4.9	32.8	1.0
	CA	A:ALA206	4.9	17.4	1.0
	C	A:SER168	4.9	23.1	0.3
	CB	A:ALA206	4.9	17.3	1.0

Chlorine binding site 2 out of 3 in 7kh6

Go back to

Chlorine Binding Sites List in 7kh6

Chlorine 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 Chlorine with other atoms in the Cl 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
B:Cl415 b:67.2 occ:1.00	O	B:HOH899	4.3	47.0	1.0
	O	B:HOH979	4.4	43.2	1.0
	O	B:HOH905	4.5	30.1	1.0
	O	B:HOH968	4.7	31.0	1.0
	O	B:HOH849	4.8	22.9	1.0
	O	B:HOH956	4.8	24.5	1.0
	O	B:HOH940	4.9	51.6	1.0
	O	B:HOH668	4.9	18.1	1.0
	O	B:HOH532	4.9	24.4	1.0

Chlorine binding site 3 out of 3 in 7kh6

Go back to

Chlorine Binding Sites List in 7kh6

Chlorine 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 Chlorine with other atoms in the Cl 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
B:Cl416 b:54.8 occ:1.00	O	B:HOH831	2.4	38.0	1.0
	O	B:HOH771	2.8	49.8	1.0
	N	B:GLU369	3.1	13.4	0.4
	N	B:GLU369	3.1	14.3	0.6
	O	B:HOH802	3.1	49.4	1.0
	CB	B:GLU369	3.4	16.9	0.4
	CB	B:GLU369	3.6	20.4	0.6
	CA	B:GLU369	3.8	14.3	0.4
	CA	B:GLU369	3.8	15.3	0.6
	C	B:LYS368	4.0	12.9	1.0
	CA	B:LYS368	4.0	12.8	1.0
	O	B:GLU367	4.2	17.1	0.6
	O	B:GLU367	4.2	14.1	0.5
	O	B:GLU369	4.3	15.0	0.4
	O	B:GLU369	4.3	17.8	0.6
	NH1	B:ARG70	4.6	27.4	0.6
	C	B:GLU369	4.6	14.5	0.4
	C	B:GLU369	4.6	15.9	0.6
	CG	B:LYS368	4.6	13.6	1.0
	CG	B:GLU369	4.8	21.9	0.4
	CB	B:LYS368	4.9	12.6	1.0
	O	B:HOH541	5.0	38.6	1.0
	CZ	B:ARG70	5.0	25.5	0.6

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: Sun Jul 13 03:18:26 2025

Last articles

Cl in 8BU0
Cl in 8BTI
Cl in 8BTE
Cl in 8BTC
Cl in 8BST
Cl in 8BT7
Cl in 8BTA
Cl in 8BT2
Cl in 8BSG
Cl in 8BT1

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