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Chlorine in PDB 7i16: Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group

Enzymatic activity of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group

All present enzymatic activity of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group:
3.4.22.69;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i16 was solved by T.Barthel, L.S.Benz, J.Wollenhaupt, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.12 / 2.13
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.67, 98.94, 103.18, 90, 90, 90
R / Rfree (%) 22.7 / 27.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group (pdb code 7i16). 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 Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i16:

Chlorine binding site 1 out of 1 in 7i16

Go back to Chlorine Binding Sites List in 7i16
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment C07 From the F2X-Entry Screen in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:42.1
occ:1.00
NE2 A:GLN110 3.1 27.4 1.0
N A:GLN107 3.2 26.6 1.0
CA A:ILE106 3.6 25.3 1.0
CB A:ILE106 3.8 26.4 1.0
CB A:GLN110 3.8 29.0 1.0
CG A:GLN110 3.8 29.6 1.0
C A:ILE106 3.9 26.9 1.0
CD A:GLN110 4.0 31.3 1.0
CG2 A:ILE106 4.0 26.5 1.0
CB A:GLN107 4.2 30.9 1.0
CA A:GLN107 4.2 30.4 1.0
CG A:GLN107 4.3 33.4 1.0
O A:GLN107 4.4 26.8 1.0
C A:GLN107 4.8 30.4 1.0
N A:ILE106 4.9 27.6 1.0
O A:ARG105 4.9 33.0 1.0

Reference:

T.Barthel, J.Wollenhaupt, L.S.Benz, P.Reincke, L.Zhang, F.Lennartz, H.Tabermann, U.Mueller, A.Meente, R.Hilgenfeld, M.S.Weiss. Orthorhombic Sars-Cov-2 Main Protease Crystals Provide Higher Success Rate in Fragment Screening To Be Published.
Page generated: Sun Jul 13 02:53:49 2025

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