Sodium in PDB 7cb7: 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376

Enzymatic activity of 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376

All present enzymatic activity of 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376:
3.4.22.69;

Protein crystallography data

The structure of 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376, PDB code: 7cb7 was solved by Y.C.Wang, C.S.Yang, M.H.Hou, C.L.Tsai, Y.Z.Chou, Y.Chen, M.C.Hung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	27.78 / 1.69
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	55.029, 98.792, 59.492, 90, 108.41, 90
*R / R_free (%)*	15.7 / 19.2

Sodium Binding Sites:

The binding sites of Sodium atom in the 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376 (pdb code 7cb7). 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 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376, PDB code: 7cb7:

Sodium binding site 1 out of 1 in 7cb7

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Sodium Binding Sites List in 7cb7

Sodium binding site 1 out of 1 in the 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 1.7A Resolution Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Broad-Spectrum Coronavirus Protease Inhibitor GC376 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na401 b:32.3 occ:1.00	OG	A:SER1	2.6	30.7	1.0
	O	A:GLY-2	2.7	22.0	1.0
	N	A:SER1	2.9	29.1	1.0
	O	A:HOH745	3.0	27.6	1.0
	CB	A:SER1	3.2	33.5	1.0
	C	A:GLY-1	3.2	24.0	1.0
	N	A:GLY0	3.3	26.1	1.0
	CA	A:GLY-1	3.3	23.7	1.0
	CA	A:SER1	3.6	33.0	1.0
	C	A:GLY-2	3.7	27.8	1.0
	O	A:GLY-1	3.8	22.8	1.0
	N	A:GLY-1	3.9	22.0	1.0
	CG1	B:VAL171	3.9	14.9	1.0
	C	A:GLY0	4.0	32.4	1.0
	O	A:HOH757	4.0	37.4	1.0
	CG	B:LYS137	4.0	33.7	1.0
	O	B:HOH512	4.1	23.4	1.0
	CA	A:GLY0	4.2	28.3	1.0
	C	A:SER1	4.3	35.3	1.0
	N	A:GLY2	4.3	25.3	1.0
	CE	B:LYS137	4.4	30.4	1.0
	O	B:THR169	4.4	21.2	1.0
	NZ	B:LYS137	4.6	26.1	1.0
	CD	B:LYS137	4.7	33.4	1.0
	CA	A:GLY-2	5.0	23.6	1.0

Reference:

Y.C.Wang, W.H.Yang, C.S.Yang, M.H.Hou, C.L.Tsai, Y.Z.Chou, M.C.Hung, Y.Chen. Structural Basis of Sars-Cov-2 Main Protease Inhibition By A Broad-Spectrum Anti-Coronaviral Drug. Am J Cancer Res V. 10 2535 2020.
ISSN: ISSN 2156-6976
PubMed: 32905393

Page generated: Tue Oct 8 16:20:07 2024

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