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Zinc 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:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3sci

Go back to Zinc Binding Sites List in 3sci
Zinc 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 Zinc with other atoms in the Zn 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:Zn901

b:87.2
occ:1.00
NE2 A:HIS374 2.2 50.7 1.0
NE2 A:HIS378 2.2 42.8 1.0
OE1 A:GLU402 2.4 50.9 1.0
OE2 A:GLU402 2.6 52.3 1.0
CD A:GLU402 2.8 52.0 1.0
CD2 A:HIS374 3.0 50.5 1.0
CE1 A:HIS378 3.2 42.9 1.0
CD2 A:HIS378 3.2 43.1 1.0
CE1 A:HIS374 3.3 50.3 1.0
OE2 A:GLU375 3.7 52.4 1.0
OE1 A:GLU375 3.8 50.4 1.0
CD A:GLU375 4.1 49.7 1.0
CG A:HIS374 4.2 50.1 1.0
ND1 A:HIS374 4.3 50.3 1.0
ND1 A:HIS378 4.3 43.4 1.0
CG A:HIS378 4.3 43.4 1.0
CG A:GLU402 4.3 51.9 1.0

Zinc binding site 2 out of 2 in 3sci

Go back to Zinc Binding Sites List in 3sci
Zinc 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 Zinc with other atoms in the Zn 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:Zn901

b:91.0
occ:1.00
OE1 B:GLU402 2.1 52.1 1.0
NE2 B:HIS374 2.3 52.9 1.0
NE2 B:HIS378 2.4 45.7 1.0
CD B:GLU402 2.8 52.6 1.0
OE2 B:GLU402 2.9 53.9 1.0
CD2 B:HIS374 2.9 51.7 1.0
CD2 B:HIS378 3.3 44.7 1.0
CE1 B:HIS378 3.4 46.4 1.0
CE1 B:HIS374 3.5 52.2 1.0
OE2 B:GLU375 3.6 47.2 1.0
OE1 B:GLU375 3.7 49.6 1.0
CD B:GLU375 4.0 47.3 1.0
CG B:HIS374 4.2 50.0 1.0
CG B:GLU402 4.3 52.0 1.0
CG B:HIS378 4.4 44.6 1.0
ND1 B:HIS374 4.4 51.4 1.0
ND1 B:HIS378 4.4 45.2 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: Wed Dec 16 04:49:46 2020

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