Sodium in PDB 4ubt: Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa.

Enzymatic activity of Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa.

All present enzymatic activity of Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa.:
2.3.1.16;

Protein crystallography data

The structure of Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa., PDB code: 4ubt was solved by C.M.Schaefer, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	37.68 / 1.70
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	76.660, 100.180, 107.950, 90.00, 99.90, 90.00
*R / R_free (%)*	14.5 / 17.4

Other elements in 4ubt:

The structure of Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa. also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa. (pdb code 4ubt). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa., PDB code: 4ubt:

Sodium binding site 1 out of 1 in 4ubt

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Sodium Binding Sites List in 4ubt

Sodium binding site 1 out of 1 in the Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa.

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of the C93S Variant of the 3-Ketoacyl-Coa Thiolase FADA5 From M. Tuberculosis in Complex with A Steroid and Coa. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Na406 b:56.7 occ:1.00	O	C:HOH757	3.2	57.7	1.0
	O	C:HOH693	3.2	58.5	1.0
	OG	C:SER370	3.3	34.8	0.6
	OD2	C:ASP310	3.4	35.9	1.0
	N	C:SER370	3.6	28.0	1.0
	CB	C:SER370	3.7	31.8	0.6
	CB	C:SER370	3.7	31.9	0.4
	O	C:HOH668	3.8	46.7	1.0
	OD1	C:ASP310	3.8	39.3	1.0
	CG	C:ASP310	3.9	34.9	1.0
	CA	C:GLN369	4.0	30.1	1.0
	C	C:GLN369	4.2	26.8	1.0
	CA	C:SER370	4.3	30.1	0.6
	CA	C:SER370	4.3	30.0	0.4
	CB	C:GLN369	4.3	30.6	1.0
	CG	C:GLN369	4.6	33.4	1.0
	O	C:ASP368	4.9	34.2	1.0
	OG	C:SER370	5.0	28.8	0.4

Reference:

C.M.Schaefer, R.Lu, N.M.Nesbitt, J.Schiebel, N.S.Sampson, C.Kisker. FADA5 A Thiolase From Mycobacterium Tuberculosis: A Steroid-Binding Pocket Reveals the Potential For Drug Development Against Tuberculosis. Structure 2014.
ISSN: ISSN 0969-2126
PubMed: 25482540
DOI: 10.1016/J.STR.2014.10.010

Page generated: Mon Oct 7 18:37:37 2024

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