Chlorine in PDB 8ty5: Mi-14 Bound to Mpro of Sars-Cov-2

Enzymatic activity of Mi-14 Bound to Mpro of Sars-Cov-2

All present enzymatic activity of Mi-14 Bound to Mpro of Sars-Cov-2:
3.4.22.69;

Protein crystallography data

The structure of Mi-14 Bound to Mpro of Sars-Cov-2, PDB code: 8ty5 was solved by L.R.Blankenship, W.R.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.28 / 1.85
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 51.659, 80.406, 89.863, 90, 96.95, 90
R / Rfree (%) 22.7 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mi-14 Bound to Mpro of Sars-Cov-2 (pdb code 8ty5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mi-14 Bound to Mpro of Sars-Cov-2, PDB code: 8ty5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8ty5

Go back to Chlorine Binding Sites List in 8ty5
Chlorine binding site 1 out of 2 in the Mi-14 Bound to 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 Mi-14 Bound to Mpro of Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:57.9
occ:1.00
CL1 A:SQ3401 0.0 57.9 1.0
C9 A:SQ3401 1.8 36.1 1.0
C3 A:SQ3401 2.8 36.4 1.0
C7 A:SQ3401 2.8 29.7 1.0
O1 A:SQ3401 3.0 38.0 1.0
C22 A:SQ3401 3.6 24.6 1.0
C21 A:SQ3401 3.8 24.9 1.0
O33 A:SQ3401 4.0 23.3 1.0
C4 A:SQ3401 4.1 37.9 1.0
C6 A:SQ3401 4.1 35.8 1.0
C11 A:SQ3401 4.2 27.7 1.0
C12 A:SQ3401 4.2 27.2 1.0
N23 A:SQ3401 4.6 23.2 1.0
C5 A:SQ3401 4.6 33.2 1.0
O38 A:SQ3401 4.6 26.2 1.0
C20 A:SQ3401 4.6 18.9 1.0
O A:HOH548 4.8 37.8 1.0
N13 A:SQ3401 5.0 27.0 1.0

Chlorine binding site 2 out of 2 in 8ty5

Go back to Chlorine Binding Sites List in 8ty5
Chlorine binding site 2 out of 2 in the Mi-14 Bound to 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 2 of Mi-14 Bound to Mpro of Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:53.0
occ:1.00
CL2 A:SQ3401 0.0 53.0 1.0
C6 A:SQ3401 1.8 35.8 1.0
OE2 A:GLU166 2.7 26.4 1.0
C5 A:SQ3401 2.8 33.2 1.0
C7 A:SQ3401 2.9 29.7 1.0
O A:LEU167 3.2 29.6 1.0
CD A:GLU166 3.5 25.1 1.0
CG A:GLU166 3.6 25.0 1.0
O A:HOH671 3.7 39.5 1.0
O A:PRO168 4.0 37.5 1.0
CA A:PRO168 4.0 28.4 1.0
C A:LEU167 4.1 27.1 1.0
C4 A:SQ3401 4.1 37.9 1.0
N A:GLY170 4.1 27.8 1.0
C9 A:SQ3401 4.1 36.1 1.0
C A:PRO168 4.2 28.4 1.0
CA A:GLY170 4.3 22.0 1.0
N A:PRO168 4.5 28.6 1.0
CB A:GLU166 4.6 20.5 1.0
C3 A:SQ3401 4.6 36.4 1.0
OE1 A:GLU166 4.6 24.7 1.0

Reference:

L.R.Blankenship, W.R.Liu. Mi-14 Bound to Sars-Cov-2 Mpro To Be Published.
Page generated: Sat Sep 28 19:30:44 2024

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