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

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

All present enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Human 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 Human Strain Complexed with Human Receptor ACE2, PDB code: 3sci 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) 47.24 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.362, 118.332, 111.937, 90.00, 93.06, 90.00
R / Rfree (%) 22.6 / 28.3

Other elements in 3sci:

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

Chlorine binding site 1 out of 2 in 3sci

Go back to Chlorine Binding Sites List in 3sci
Chlorine binding site 1 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Human 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 Human Strain Complexed with Human Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:92.7
occ:1.00
NE1 A:TRP477 3.2 52.6 1.0
NE A:ARG169 3.3 69.1 1.0
CB A:ASP499 3.5 63.6 1.0
NH1 A:ARG169 3.6 68.2 1.0
CZ2 A:TRP478 3.9 66.6 1.0
CZ A:ARG169 3.9 68.0 1.0
CE2 A:TRP477 4.0 53.0 1.0
CZ2 A:TRP477 4.0 52.9 1.0
CH2 A:TRP478 4.1 66.9 1.0
CE A:LYS481 4.1 57.9 1.0
O A:ASP499 4.2 60.7 1.0
C A:ASP499 4.3 60.6 1.0
CD A:ARG169 4.3 71.6 1.0
CD1 A:TRP477 4.3 55.2 1.0
CG A:ASP499 4.4 64.5 1.0
NZ A:LYS481 4.5 58.8 1.0
CA A:ASP499 4.5 63.1 1.0
OD2 A:ASP499 4.6 64.8 1.0
CE2 A:TRP478 4.7 66.0 1.0
CZ2 A:TRP165 4.9 61.0 1.0
N A:PRO500 4.9 58.4 1.0

Chlorine binding site 2 out of 2 in 3sci

Go back to Chlorine Binding Sites List in 3sci
Chlorine binding site 2 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From A Predicted Sars Coronavirus Human 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 Human Strain Complexed with Human Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl902

b:0.3
occ:1.00
NE B:ARG169 3.5 69.6 1.0
CB B:ASP499 3.7 86.3 1.0
CH2 B:TRP478 3.7 87.7 1.0
CZ2 B:TRP478 3.7 87.7 1.0
NH1 B:ARG169 3.8 67.9 1.0
NE1 B:TRP477 3.9 89.2 1.0
CZ B:ARG169 4.1 68.0 1.0
CZ2 B:TRP477 4.3 89.6 1.0
CZ2 B:TRP165 4.4 59.6 1.0
CG B:ASP499 4.4 85.7 1.0
CE2 B:TRP477 4.5 89.6 1.0
CD B:ARG169 4.5 72.1 1.0
NZ B:LYS481 4.6 77.7 1.0
C B:ASP499 4.6 85.4 1.0
O B:ASP499 4.7 85.2 1.0
CA B:ASP499 4.7 86.4 1.0
OD1 B:ASP499 4.7 84.9 1.0
CZ3 B:TRP478 4.8 87.5 1.0
CD B:LYS481 4.8 77.6 1.0
CE2 B:TRP478 4.8 87.2 1.0
CE B:LYS481 4.9 77.5 1.0
NE1 B:TRP165 5.0 61.8 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: Sun Jul 21 04:20:27 2024

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