Iodine in PDB 7cx9: Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1

Enzymatic activity of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1, PDB code: 7cx9 was solved by R.Zeng, X.L.Liu, J.X.Qiao, J.S.Nan, Y.F.Wang, Y.S.Li, S.Y.Yang, J.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.44 / 1.73
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	97.236, 82.900, 51.489, 90.00, 115.12, 90.00
*R / R_free (%)*	17 / 20.9

Other elements in 7cx9:

The structure of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1 (pdb code 7cx9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1, PDB code: 7cx9:

Iodine binding site 1 out of 1 in 7cx9

Go back to

Iodine Binding Sites List in 7cx9

Iodine binding site 1 out of 1 in the Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1

Mono view

Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz- 1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:I401 b:48.8 occ:0.51	I12	A:GKF401	0.0	48.8	0.5
	C11	A:GKF401	2.2	36.5	1.0
	O	A:HOH720	2.6	48.5	1.0
	N10	A:GKF401	3.0	37.7	1.0
	C07	A:GKF401	3.2	35.5	1.0
	NE2	A:HIS41	3.6	40.3	1.0
	C06	A:GKF401	3.7	37.8	1.0
	N	A:GLN189	3.9	37.4	1.0
	C	A:ARG188	4.0	34.5	1.0
	CA	A:ARG188	4.0	34.8	1.0
	OE1	A:GLN189	4.2	91.9	1.0
	CE1	A:HIS41	4.3	38.6	1.0
	N09	A:GKF401	4.3	35.6	1.0
	C08	A:GKF401	4.3	36.3	1.0
	CD2	A:HIS41	4.3	36.7	1.0
	CE	A:MET165	4.5	46.5	1.0
	CA	A:GLN189	4.6	42.3	1.0
	N	A:ARG188	4.6	27.2	1.0
	O	A:ARG188	4.6	29.9	1.0
	CB	A:GLN189	4.7	56.0	1.0
	O	A:HOH717	4.7	52.4	1.0
	SD	A:MET165	4.8	49.1	1.0
	C	A:ASP187	4.8	29.4	1.0
	O	A:ASP187	4.9	28.9	1.0
	CD	A:GLN189	4.9	81.4	1.0

Reference:

J.X.Qiao, R.Zeng, X.L.Liu, J.S.Nan, Y.F.Wang, Y.S.Li, J.Lei, S.Y.Yang. Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Inz-1 To Be Published.

Page generated: Mon Aug 12 00:56:31 2024

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