Chlorine in PDB 7ku9: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution, PDB code: 7ku9 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)*	36.79 / 1.40
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	183.259, 58.9, 67.23, 90, 94.82, 90
*R / R_free (%)*	13.6 / 17.7

Other elements in 7ku9:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Fluorine	(F)	9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution (pdb code 7ku9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution, PDB code: 7ku9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7ku9

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Chlorine Binding Sites List in 7ku9

Chlorine binding site 1 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl311 b:66.9 occ:1.00	CB	A:SER168	4.2	19.8	1.0
	O	A:ARG164	4.2	21.0	1.0
	OG	A:SER168	4.4	25.8	1.0
	CA	A:GLN165	4.5	19.0	1.0
	CG	A:GLN165	4.5	26.7	1.0
	C	A:ARG164	4.6	19.9	1.0
	N	A:GLN165	4.7	18.8	1.0
	CE1	A:TYR169	4.7	34.4	1.0
	OH	A:TYR169	4.8	41.3	1.0
	CZ	A:TYR169	5.0	32.8	1.0
	CB	A:ARG164	5.0	23.8	1.0

Chlorine binding site 2 out of 3 in 7ku9

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Chlorine Binding Sites List in 7ku9

Chlorine binding site 2 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl1032 b:68.7 occ:1.00	O	B:HOH1488	4.5	49.9	1.0
	O	B:HOH1531	4.8	44.6	1.0
	O	B:HOH1527	4.9	23.7	1.0
	O	B:HOH1148	4.9	19.8	1.0
	O	B:HOH1604	4.9	34.0	1.0
	O	B:HOH1494	5.0	19.1	1.0

Chlorine binding site 3 out of 3 in 7ku9

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Chlorine Binding Sites List in 7ku9

Chlorine binding site 3 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl1033 b:75.8 occ:1.00	O	B:HOH1469	2.8	56.5	1.0
	O	B:GLY395	3.6	56.6	1.0
	C	B:GLY395	4.1	52.8	1.0
	O	B:LEU391	4.3	42.6	1.0
	CA	B:GLY395	4.6	55.6	1.0
	O	B:HOH1472	4.7	47.7	1.0
	CA	B:LYS392	4.8	39.1	1.0
	C	B:LEU391	4.8	37.8	1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution. To Be Published.

Page generated: Mon Jul 29 23:45:41 2024

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