Fluorine in PDB 3t78: Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate:
4.1.1.48;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate, PDB code: 3t78 was solved by M.C.M.Reddy, J.B.Bruning, C.Thurman, J.C.Sacchettini, Tb Structuralgenomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.52 / 1.60
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	46.243, 53.328, 87.406, 90.00, 90.00, 90.00
*R / R_free (%)*	16 / 19.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate (pdb code 3t78). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate, PDB code: 3t78:

Fluorine binding site 1 out of 1 in 3t78

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Fluorine Binding Sites List in 3t78

Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps) in Complex with 5-Fluoroanthranilate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F273 b:30.8 occ:1.00	FAD	A:5RG273	0.0	30.8	1.0
	CAJ	A:5RG273	1.4	30.1	1.0
	CAF	A:5RG273	2.6	26.1	1.0
	CAG	A:5RG273	2.6	21.6	1.0
	CD2	A:LEU193	3.4	34.2	1.0
	CZ	A:PHE121	3.5	13.2	1.0
	CE1	A:PHE121	3.6	13.6	1.0
	CD1	A:LEU193	3.6	25.8	1.0
	CG	A:LEU193	3.8	29.9	1.0
	CD1	A:ILE10	3.9	22.4	1.0
	CAK	A:5RG273	4.0	20.6	1.0
	CAE	A:5RG273	4.0	24.9	1.0
	CB	A:LEU193	4.0	27.2	1.0
	CZ	A:PHE98	4.4	14.1	1.0
	CAI	A:5RG273	4.6	31.9	1.0
	CA	A:LEU193	4.7	26.1	1.0
	OXT	A:ACT275	4.8	33.9	1.0
	CD1	A:LEU7	4.8	19.8	1.0
	CE2	A:PHE121	4.8	16.2	1.0
	CE1	A:PHE98	4.9	10.1	1.0
	CD1	A:PHE121	4.9	13.0	1.0
	CD2	A:LEU196	5.0	31.6	1.0

Reference:

M.C.M.Reddy, J.B.Bruning, C.Thurman, J.C.Sacchettini. Structural Insights and Inhibition of Mycobacterium Tuberculosis Indole Glycerol Phosphate Synthase (Igps): An Essential Enzyme For Tryptophan Biosynthesis To Be Published.

Page generated: Sun Dec 13 11:55:40 2020

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