Sodium in PDB 5scx: Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture):
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture), PDB code: 5scx was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	36.15 / 1.30
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	29.28, 67.28, 72.29, 90, 90, 90
*R / R_free (%)*	13.6 / 17.5

Other elements in 5scx:

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) (pdb code 5scx). 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 Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture), PDB code: 5scx:

Sodium binding site 1 out of 1 in 5scx

Go back to

Sodium Binding Sites List in 5scx

Sodium binding site 1 out of 1 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na203 b:16.2 occ:1.00	OG1	A:THR113	2.9	10.4	1.0
	N06	A:HJI202	3.1	9.6	1.0
	O	A:GLU111	3.1	8.8	1.0
	O	A:TRP6	3.2	8.5	1.0
	N	A:THR113	3.3	9.4	1.0
	CD2	A:HIS30	3.3	15.0	1.0
	NE2	A:HIS30	3.4	17.5	1.0
	CG1	A:ILE5	3.5	7.9	1.0
	C	A:VAL112	3.5	9.5	1.0
	C	A:GLU111	3.5	7.9	1.0
	N	A:VAL112	3.7	9.1	1.0
	CA	A:VAL112	3.7	8.7	1.0
	CD1	A:ILE5	3.9	8.8	1.0
	CB	A:THR113	3.9	10.1	1.0
	C	A:TRP6	4.1	8.4	1.0
	O	A:HOH351	4.1	16.1	1.0
	CA	A:THR113	4.1	9.4	1.0
	OD1	A:ASP27	4.2	10.6	1.0
	O	A:VAL112	4.2	11.5	1.0
	N	A:TRP6	4.2	7.8	1.0
	C05	A:HJI202	4.3	9.4	1.0
	CB	A:GLU111	4.4	8.8	1.0
	CA	A:GLU111	4.6	7.9	1.0
	CG	A:HIS30	4.6	13.1	1.0
	N07	A:HJI202	4.6	8.7	1.0
	CE1	A:HIS30	4.7	19.2	1.0
	CA	A:TRP6	4.8	8.0	1.0
	CB	A:ILE5	4.8	8.0	1.0
	N	A:ALA7	4.9	8.9	1.0
	C	A:ILE5	4.9	7.2	1.0
	CA	A:ILE5	5.0	7.6	1.0

Reference:

S.J.Mayclin, D.G.Conrady, D.D.Lorimer. Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) To Be Published.

Page generated: Mon Oct 7 23:54:08 2024

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