Zinc in PDB 7sn0: Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2

Enzymatic activity of Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2

All present enzymatic activity of Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2:
3.4.17.23;

Protein crystallography data

The structure of Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2, PDB code: 7sn0 was solved by J.Pan, J.Abraham, S.Clark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 111.96 / 3.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.709, 104.015, 223.911, 90, 90, 90
R / Rfree (%) 23.5 / 28.6

Other elements in 7sn0:

The structure of Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex 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 of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2 (pdb code 7sn0). 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 of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2, PDB code: 7sn0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7sn0

Go back to Zinc Binding Sites List in 7sn0
Zinc binding site 1 out of 2 in the Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex 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 of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn901

b:72.6
occ:1.00
 OE1 A:GLU402 1.9 89.0 1.0
NE2 A:HIS374 2.1 80.7 1.0
NE2 A:HIS378 2.4 85.7 1.0
CD A:GLU402 2.5 89.5 1.0
OE2 A:GLU402 2.5 92.4 1.0
CD2 A:HIS374 2.9 79.6 1.0
CD2 A:HIS378 3.1 84.6 1.0
CE1 A:HIS374 3.3 80.4 1.0
CE1 A:HIS378 3.5 85.8 1.0
OE2 A:GLU375 3.5 103.3 1.0
CG A:GLU402 4.0 85.4 1.0
CG A:HIS374 4.2 78.9 1.0
CD A:GLU375 4.3 100.4 1.0
ND1 A:HIS374 4.3 79.7 1.0
CG A:HIS378 4.4 83.6 1.0
OE1 A:GLU375 4.4 102.3 1.0
ND1 A:HIS378 4.5 85.3 1.0

Zinc binding site 2 out of 2 in 7sn0

Go back to Zinc Binding Sites List in 7sn0
Zinc binding site 2 out of 2 in the Crystal Structure of Spike Protein Receptor Binding Domain of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex 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 of Escape Mutant Sars-Cov-2 From Immunocompromised Patient (D146*) in Complex with Human Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn901

b:108.7
occ:1.00
 NE2 B:HIS374 2.0 92.0 1.0
OE1 B:GLU402 2.1 96.5 1.0
NE2 B:HIS378 2.4 84.0 1.0
OE2 B:GLU402 2.7 99.2 1.0
CD B:GLU402 2.7 96.9 1.0
CD2 B:HIS374 2.7 90.8 1.0
CD2 B:HIS378 3.1 82.4 1.0
CE1 B:HIS374 3.2 92.5 1.0
OE2 B:GLU375 3.3 105.6 1.0
CE1 B:HIS378 3.6 84.2 1.0
CG B:HIS374 4.0 90.0 1.0
CD B:GLU375 4.1 102.1 1.0
CG B:GLU402 4.2 92.0 1.0
ND1 B:HIS374 4.2 92.1 1.0
OE1 B:GLU375 4.2 103.7 1.0
CG B:HIS378 4.3 80.8 1.0
ND1 B:HIS378 4.6 83.2 1.0

Reference:

K.G.Nabel, S.Shankar, J.Pan, L.E.Clark, P.Yang, A.Coscia, L.G.A.Mckay, H.H.Varnum, V.Brusic, N.V.Tolan, G.Zhou, M.Desjardins, S.E.Turbett, S.Kanjilal, A.C.Sherman, A.Dighe, R.C.Larocque, E.T.Ryan, C.Tylek, J.F.Cohen-Solal, A.T.Darcy, D.Tavella, A.Clabbers, Y.Fan, A.Griffiths, I.R.Correia, J.Seagal, L.R.Baden, R.C.Charles, J.Abraham. Structural Basis For Continued Antibody Evasion By the Sars-Cov-2 Receptor Binding Domain Science 2021.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.ABL6251
Page generated: Wed Oct 30 11:15:00 2024

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