Chlorine 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:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 2 in 7sn0

Go back to Chlorine Binding Sites List in 7sn0
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl902

b:97.0
occ:1.00
NH1 A:ARG169 2.9 88.1 1.0
NE A:ARG169 3.1 89.1 1.0
CB A:ASP499 3.2 89.1 1.0
CZ A:ARG169 3.4 89.3 1.0
CZ2 A:TRP478 3.8 82.4 1.0
NE1 A:TRP477 3.8 78.9 1.0
O A:ASP499 3.9 87.9 1.0
CG A:ASP499 4.1 91.2 1.0
CH2 A:TRP478 4.1 82.2 1.0
CA A:ASP499 4.2 88.2 1.0
C A:ASP499 4.2 87.9 1.0
CZ2 A:TRP165 4.2 88.7 1.0
CD A:ARG169 4.3 90.1 1.0
OD2 A:ASP499 4.3 90.4 1.0
CE A:LYS481 4.5 98.2 1.0
CE2 A:TRP477 4.6 78.7 1.0
NZ A:LYS481 4.7 102.0 1.0
CZ2 A:TRP477 4.7 79.0 1.0
OG A:SER502 4.7 84.2 1.0
NH2 A:ARG169 4.8 89.6 1.0
CD1 A:TRP271 4.8 74.3 1.0
CE2 A:TRP165 4.8 87.8 1.0
CE2 A:TRP478 4.8 82.5 1.0
CD1 A:TRP477 4.9 79.2 1.0
NE1 A:TRP165 4.9 87.7 1.0
CG A:ARG169 5.0 90.2 1.0
CH2 A:TRP165 5.0 88.5 1.0

Chlorine binding site 2 out of 2 in 7sn0

Go back to Chlorine Binding Sites List in 7sn0
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl902

b:110.7
occ:1.00
NE B:ARG169 3.1 90.0 1.0
CB B:ASP499 3.4 78.0 1.0
NE1 B:TRP477 3.7 89.5 1.0
NH1 B:ARG169 3.7 91.4 1.0
CZ2 B:TRP478 3.7 86.4 1.0
CZ B:ARG169 3.8 91.8 1.0
CH2 B:TRP478 4.0 86.5 1.0
O B:ASP499 4.0 75.4 1.0
CD B:ARG169 4.1 88.1 1.0
CE B:LYS481 4.1 98.0 1.0
C B:ASP499 4.3 75.1 1.0
CG B:ASP499 4.3 83.2 1.0
CA B:ASP499 4.3 76.2 1.0
CZ2 B:TRP165 4.3 90.1 1.0
NZ B:LYS481 4.4 99.5 1.0
CE2 B:TRP477 4.4 89.4 1.0
OD2 B:ASP499 4.4 86.1 1.0
CZ2 B:TRP477 4.4 90.4 1.0
CD1 B:TRP477 4.7 89.1 1.0
CE2 B:TRP478 4.8 86.1 1.0
CD1 B:TRP271 4.8 75.5 1.0
OG B:SER502 4.8 77.1 1.0
CE2 B:TRP165 4.9 89.1 1.0
NE1 B:TRP165 5.0 89.3 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: Fri Dec 17 08:58:29 2021

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