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Chlorine in PDB 3sck: Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2

Enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2

All present enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2:
3.4.17.23;

Protein crystallography data

The structure of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2, PDB code: 3sck was solved by K.Wu, G.Peng, M.Wilken, R.Geraghty, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.27 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.219, 119.277, 113.236, 90.00, 92.19, 90.00
R / Rfree (%) 23.9 / 28.5

Other elements in 3sck:

The structure of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 (pdb code 3sck). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2, PDB code: 3sck:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3sck

Go back to Chlorine Binding Sites List in 3sck
Chlorine binding site 1 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2


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 Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:0.9
occ:1.00
NE1 A:TRP477 2.7 82.5 1.0
CZ2 A:TRP478 3.4 95.6 1.0
CB A:ASP499 3.5 92.5 1.0
CD1 A:TRP477 3.6 84.7 1.0
CE2 A:TRP477 3.6 82.5 1.0
NE A:ARG169 3.7 0.2 1.0
CH2 A:TRP478 3.7 95.9 1.0
NH1 A:ARG169 3.8 0.5 1.0
CZ2 A:TRP477 4.0 82.1 1.0
CE A:LYS481 4.0 71.3 1.0
CE2 A:TRP478 4.2 94.5 1.0
CZ A:ARG169 4.3 0.8 1.0
OD1 A:ASP499 4.4 91.8 1.0
CG A:ASP499 4.4 92.4 1.0
C A:ASP499 4.5 89.8 1.0
NZ A:LYS481 4.5 70.3 1.0
CA A:ASP499 4.6 92.3 1.0
O A:ASP499 4.6 88.8 1.0
CZ3 A:TRP478 4.7 95.1 1.0
NE1 A:TRP478 4.8 93.2 1.0
CZ2 A:TRP165 4.8 0.0 1.0
N A:PRO500 4.8 88.4 1.0
CD A:ARG169 4.8 0.1 1.0
CG A:TRP477 4.8 88.0 1.0
CD2 A:TRP477 4.9 83.4 1.0

Chlorine binding site 2 out of 2 in 3sck

Go back to Chlorine Binding Sites List in 3sck
Chlorine binding site 2 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl902

b:0.8
occ:1.00
NE B:ARG169 3.2 0.8 1.0
CZ2 B:TRP477 3.3 0.5 1.0
NE1 B:TRP477 3.4 0.3 1.0
NH1 B:ARG169 3.4 0.4 1.0
CE2 B:TRP477 3.7 0.5 1.0
CZ B:ARG169 3.8 0.8 1.0
CB B:ASP499 3.8 95.9 1.0
CZ2 B:TRP478 4.0 0.4 1.0
CH2 B:TRP478 4.1 0.7 1.0
CD B:ARG169 4.3 0.2 1.0
CZ2 B:TRP165 4.3 99.8 1.0
CE B:LYS481 4.5 92.9 1.0
CG B:ASP499 4.5 95.4 1.0
CH2 B:TRP477 4.5 0.4 1.0
OD1 B:ASP499 4.6 95.6 1.0
CD B:LYS481 4.6 94.7 1.0
C B:ASP499 4.7 95.3 1.0
CD1 B:TRP477 4.7 0.0 1.0
CE2 B:TRP478 4.8 0.2 1.0
CA B:ASP499 4.8 96.3 1.0
O B:ASP499 4.9 94.3 1.0
CH2 B:TRP165 5.0 99.2 1.0

Reference:

K.Wu, G.Peng, M.Wilken, R.Geraghty, F.Li. Sars Coronavirus: Mechanism of Host Receptor Adaptation and Rational Prediction of Future Evolution To Be Published.
Page generated: Sat Dec 12 10:09:30 2020

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