Chlorine in PDB 7be7: Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2.

Enzymatic activity of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2.

All present enzymatic activity of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2.:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

Protein crystallography data

The structure of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2., PDB code: 7be7 was solved by E.Costanzi, N.Demitri, B.Giabbai, P.Storici, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.84 / 1.68
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	67.898, 99.24, 103.375, 90, 90, 90
*R / R_free (%)*	17.7 / 20.1

Other elements in 7be7:

The structure of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2. (pdb code 7be7). 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 Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2., PDB code: 7be7:

Chlorine binding site 1 out of 1 in 7be7

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Chlorine Binding Sites List in 7be7

Chlorine binding site 1 out of 1 in the Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl708 b:20.4 occ:1.00	H	B:THR224	2.5	37.5	1.0
	HA	B:PHE223	3.0	33.9	1.0
	HD1	B:PHE223	3.0	36.2	1.0
	O	B:HOH931	3.1	35.3	1.0
	N	B:THR224	3.3	31.2	1.0
	O	B:HOH801	3.3	41.6	1.0
	HB3	B:PHE223	3.4	34.2	1.0
	O	B:THR224	3.6	35.5	1.0
	CA	B:PHE223	3.7	28.3	1.0
	CD1	B:PHE223	3.9	30.3	1.0
	CB	B:PHE223	4.0	28.5	1.0
	C	B:PHE223	4.0	32.9	1.0
	HB	B:THR224	4.1	52.1	1.0
	CA	B:THR224	4.3	38.5	1.0
	C	B:THR224	4.3	33.0	1.0
	CG	B:PHE223	4.4	28.9	1.0
	CB	B:THR224	4.6	43.4	1.0
	O	B:ARG222	4.7	29.1	1.0
	HB2	B:PHE223	4.9	34.2	1.0
	OG1	B:THR224	4.9	59.7	1.0
	CE1	B:PHE223	4.9	30.9	1.0
	N	B:PHE223	4.9	27.6	1.0
	HE1	B:PHE223	5.0	36.9	1.0

Reference:

E.Costanzi, N.Demitri, B.Giabbai, P.Storici. Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2. To Be Published.

Page generated: Mon Jul 29 19:06:19 2024

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