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Zinc in PDB 3scl: Crystal Structure of Spike Protein Receptor-Binding Domain From Sars Coronavirus Epidemic Strain Complexed with Human-Civet Chimeric Receptor ACE2

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

All present enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From Sars Coronavirus Epidemic 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 Sars Coronavirus Epidemic Strain Complexed with Human-Civet Chimeric Receptor ACE2, PDB code: 3scl 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) 47.55 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.670, 119.523, 113.532, 90.00, 92.50, 90.00
R / Rfree (%) 23.9 / 29.2

Other elements in 3scl:

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

Zinc binding site 1 out of 2 in 3scl

Go back to Zinc Binding Sites List in 3scl
Zinc binding site 1 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From Sars Coronavirus Epidemic Strain Complexed with Human-Civet Chimeric 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 Sars Coronavirus Epidemic Strain Complexed with Human-Civet Chimeric Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn901

b:0.8
occ:1.00
NE2 A:HIS378 2.3 50.7 1.0
NE2 A:HIS374 2.4 48.4 1.0
OE1 A:GLU402 2.6 50.6 1.0
CD2 A:HIS374 3.2 48.0 1.0
CE1 A:HIS378 3.2 50.2 1.0
CD2 A:HIS378 3.3 50.6 1.0
OE1 A:GLU375 3.3 49.8 1.0
CD A:GLU402 3.4 51.0 1.0
CE1 A:HIS374 3.4 48.4 1.0
OE2 A:GLU402 3.4 51.4 1.0
CD A:GLU375 4.2 49.8 1.0
CG A:HIS374 4.4 47.5 1.0
ND1 A:HIS378 4.4 49.1 1.0
ND1 A:HIS374 4.4 47.8 1.0
OE2 A:GLU375 4.4 49.8 1.0
CG A:HIS378 4.4 49.9 1.0
CG A:GLU402 4.8 50.8 1.0

Zinc binding site 2 out of 2 in 3scl

Go back to Zinc Binding Sites List in 3scl
Zinc binding site 2 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From Sars Coronavirus Epidemic Strain Complexed with Human-Civet Chimeric 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 Sars Coronavirus Epidemic Strain Complexed with Human-Civet Chimeric Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn901

b:0.7
occ:1.00
OE1 B:GLU402 2.4 43.8 1.0
NE2 B:HIS374 2.8 45.3 1.0
NE2 B:HIS378 3.0 51.5 1.0
OE1 B:GLU375 3.1 57.0 1.0
CD B:GLU402 3.2 44.4 1.0
OE2 B:GLU402 3.3 43.7 1.0
CD2 B:HIS374 3.5 45.8 1.0
CE1 B:HIS374 3.8 45.8 1.0
CD2 B:HIS378 3.8 50.2 1.0
CE1 B:HIS378 3.9 52.1 1.0
CD B:GLU375 4.1 54.1 1.0
OE2 B:GLU375 4.4 54.9 1.0
CG B:GLU402 4.6 46.3 1.0
CG B:HIS374 4.7 47.2 1.0
ND1 B:HIS374 4.8 46.3 1.0
ND1 B:HIS378 5.0 50.7 1.0
CG B:HIS378 5.0 49.8 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: Sat Oct 26 15:41:15 2024

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