Chlorine in PDB 6xkf: The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine).

Enzymatic activity of The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine).

All present enzymatic activity of The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine).:
3.4.22.69;

Protein crystallography data

The structure of The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine)., PDB code: 6xkf was solved by K.Tan, N.I.Maltseva, L.F.Welk, R.P.Jedrzejczak, L.Coates, A.Y.Kovalevskyi, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	37.72 / 1.80
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	44.878, 53.791, 115.261, 90.00, 100.97, 90.00
*R / R_free (%)*	19 / 23.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine). (pdb code 6xkf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine)., PDB code: 6xkf:

Chlorine binding site 1 out of 1 in 6xkf

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Chlorine Binding Sites List in 6xkf

Chlorine binding site 1 out of 1 in the The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine).

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine). within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl402 b:63.7 occ:1.00	O2	B:EDO401	3.1	54.4	1.0
	N	A:LYS5	3.3	33.4	1.0
	O	A:HOH547	3.4	52.2	1.0
	CD	A:ARG4	3.8	54.1	1.0
	CB	A:LYS5	3.8	41.8	1.0
	NH2	A:ARG4	3.9	78.8	1.0
	CA	A:LYS5	4.2	35.7	1.0
	NZ	B:LYS5	4.2	61.1	1.0
	CA	A:ARG4	4.2	39.1	1.0
	C2	B:EDO401	4.2	47.9	1.0
	C	A:ARG4	4.3	39.7	1.0
	CB	A:ARG4	4.5	37.6	1.0
	CD	B:LYS5	4.6	49.9	1.0
	O	A:LYS5	4.7	44.4	1.0
	CG	A:ARG4	4.7	46.7	1.0
	NE	A:ARG4	4.8	62.6	1.0
	CZ	A:ARG4	4.8	75.1	1.0
	C	A:LYS5	4.9	39.1	1.0

Reference:

K.Tan, N.I.Maltseva, L.F.Welk, R.P.Jedrzejczak, L.Coates, A.Y.Kovalevskyi, A.Joachimiak. The Crystal Structure of 3CL Mainpro of Sars-Cov-2 with Oxidized CYS145 (Sulfenic Acid Cysteine). To Be Published.

Page generated: Sat Jul 12 21:42:27 2025

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