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

Enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human 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 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 Receptor ACE2, PDB code: 3scj 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 / 27.8

Other elements in 3scj:

The structure of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Civet Strain Complexed with Human 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 Receptor ACE2 (pdb code 3scj). 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 Receptor ACE2, PDB code: 3scj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3scj

Go back to Chlorine Binding Sites List in 3scj
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 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 Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:96.4
occ:1.00
NH1 A:ARG169 3.2 86.9 1.0
NE A:ARG169 3.3 87.3 1.0
NE1 A:TRP477 3.5 73.2 1.0
CZ A:ARG169 3.7 86.1 1.0
CE A:LYS481 3.9 69.6 1.0
NZ A:LYS481 3.9 71.6 1.0
CZ2 A:TRP478 4.0 79.5 1.0
CH2 A:TRP478 4.1 79.9 1.0
CB A:ASP499 4.1 81.4 1.0
CZ2 A:TRP477 4.1 72.8 1.0
CE2 A:TRP477 4.2 73.2 1.0
CD A:ARG169 4.5 89.5 1.0
CZ2 A:TRP165 4.6 74.3 1.0
CD1 A:TRP477 4.6 74.5 1.0
O A:ASP499 4.8 80.6 1.0
C A:ASP499 4.9 80.7 1.0
O A:TRP271 4.9 74.7 1.0
CD A:LYS481 4.9 68.5 1.0
CE2 A:TRP478 5.0 78.7 1.0
CG A:ASP499 5.0 79.8 1.0
NH2 A:ARG169 5.0 84.7 1.0

Chlorine binding site 2 out of 2 in 3scj

Go back to Chlorine Binding Sites List in 3scj
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 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 Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl902

b:0.9
occ:1.00
NE B:ARG169 2.8 87.7 1.0
NH1 B:ARG169 3.1 86.4 1.0
CZ B:ARG169 3.4 86.8 1.0
CH2 B:TRP478 3.7 94.9 1.0
CZ2 B:TRP478 3.7 94.5 1.0
NE1 B:TRP477 3.8 97.3 1.0
CB B:ASP499 3.8 97.6 1.0
CZ2 B:TRP165 3.9 73.2 1.0
CD B:ARG169 3.9 89.7 1.0
OD1 B:ASP499 4.3 96.0 1.0
CG B:ASP499 4.5 96.5 1.0
CE2 B:TRP165 4.5 74.6 1.0
CE2 B:TRP477 4.6 97.4 1.0
CZ2 B:TRP477 4.6 97.3 1.0
NE1 B:TRP165 4.6 75.4 1.0
CH2 B:TRP165 4.7 72.0 1.0
CZ3 B:TRP478 4.7 94.8 1.0
NH2 B:ARG169 4.7 86.3 1.0
CE2 B:TRP478 4.7 94.0 1.0
CD1 B:TRP477 4.9 98.1 1.0
CE B:LYS481 4.9 86.1 1.0
CA B:ASP499 5.0 98.1 1.0
C B:ASP499 5.0 97.2 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: Fri Jul 11 10:13:43 2025

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