Chlorine in PDB 8d4p: Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1

Enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1, PDB code: 8d4p was solved by S.G.Butler, Y.Chen, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	48.42 / 2.04
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	114.643, 53.607, 45.029, 90, 101.86, 90
*R / R_free (%)*	18.9 / 25.7

Other elements in 8d4p:

The structure of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1 (pdb code 8d4p). 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 the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1, PDB code: 8d4p:

Chlorine binding site 1 out of 1 in 8d4p

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Chlorine Binding Sites List in 8d4p

Chlorine binding site 1 out of 1 in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1

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 the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl401 b:70.2 occ:1.00	CL04	A:QAO401	0.0	70.2	1.0
	C03	A:QAO401	1.7	52.3	1.0
	C02	A:QAO401	2.6	56.0	1.0
	O01	A:QAO401	2.8	56.3	1.0
	SG	A:CYS145	3.0	47.5	1.0
	CB	A:CYS145	3.0	39.4	1.0
	N	A:GLY143	3.3	37.0	1.0
	CA	A:GLY143	3.3	37.7	1.0
	N	A:CYS145	3.6	31.7	1.0
	C	A:GLY143	3.6	36.8	1.0
	CA	A:CYS145	3.9	32.6	1.0
	N06	A:QAO401	4.0	53.1	1.0
	N	A:SER144	4.0	32.7	1.0
	CB	A:LEU27	4.1	34.4	1.0
	O	A:GLY143	4.1	33.9	1.0
	NE2	A:HIS41	4.1	47.9	1.0
	O	A:THR26	4.5	34.5	1.0
	C	A:ASN142	4.6	40.7	1.0
	C26	A:QAO401	4.6	58.1	1.0
	O	A:CYS145	4.6	29.4	1.0
	C	A:SER144	4.7	32.4	1.0
	C	A:CYS145	4.8	30.4	1.0
	CA	A:LEU27	4.8	33.9	1.0
	CD2	A:LEU27	4.8	36.9	1.0
	C29	A:QAO401	5.0	61.4	1.0
	CA	A:SER144	5.0	31.9	1.0

Reference:

S.G.Butler, Y.Chen, J.Wang. Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor JUN10-90-3-C1 To Be Published.

Page generated: Sun Jul 13 10:32:47 2025

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