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Chlorine in PDB 3d0i: Crystal Structure of Spike Protein Receptor-Binding Domain From the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2

Enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2

All present enzymatic activity of Crystal Structure of Spike Protein Receptor-Binding Domain From the 2005-2006 Sars Coronavirus Civet 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 the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2, PDB code: 3d0i was solved by F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.47 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.424, 119.824, 109.772, 90.00, 95.50, 90.00
R / Rfree (%) 22.4 / 27.8

Other elements in 3d0i:

The structure of Crystal Structure of Spike Protein Receptor-Binding Domain From the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric 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 the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 (pdb code 3d0i). 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 the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2, PDB code: 3d0i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3d0i

Go back to Chlorine Binding Sites List in 3d0i
Chlorine binding site 1 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric 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 the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:85.0
occ:1.00
NE1 A:TRP477 3.2 65.3 1.0
NE A:ARG169 3.3 77.4 1.0
NH1 A:ARG169 3.4 76.3 1.0
CB A:ASP499 3.6 79.9 1.0
CZ A:ARG169 3.8 76.8 1.0
CZ2 A:TRP477 3.9 66.1 1.0
CE2 A:TRP477 3.9 65.8 1.0
CZ2 A:TRP478 4.1 76.9 1.0
NZ A:LYS481 4.1 75.2 1.0
CH2 A:TRP478 4.2 76.2 1.0
CE A:LYS481 4.2 74.0 1.0
CD1 A:TRP477 4.4 66.2 1.0
O A:ASP499 4.4 75.6 1.0
C A:ASP499 4.4 76.2 1.0
CD A:ARG169 4.4 78.5 1.0
CG A:ASP499 4.5 79.5 1.0
CA A:ASP499 4.6 79.4 1.0
CZ2 A:TRP165 4.6 56.3 1.0
OD1 A:ASP499 4.7 79.4 1.0
CD1 A:TRP271 4.8 64.5 1.0
N A:PRO500 4.9 73.6 1.0

Chlorine binding site 2 out of 2 in 3d0i

Go back to Chlorine Binding Sites List in 3d0i
Chlorine binding site 2 out of 2 in the Crystal Structure of Spike Protein Receptor-Binding Domain From the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric 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 the 2005-2006 Sars Coronavirus Civet Strain Complexed with Human-Civet Chimeric Receptor ACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl902

b:73.1
occ:1.00
NE B:ARG169 2.8 74.4 1.0
CB B:ASP499 3.4 61.5 1.0
NH1 B:ARG169 3.5 72.6 1.0
CZ B:ARG169 3.6 72.8 1.0
CD B:ARG169 3.8 75.4 1.0
CZ2 B:TRP478 3.8 70.3 1.0
NE1 B:TRP477 3.8 65.1 1.0
CG B:ASP499 4.0 61.3 1.0
CH2 B:TRP478 4.1 70.2 1.0
CZ2 B:TRP477 4.1 64.0 1.0
OD1 B:ASP499 4.2 60.6 1.0
O B:ASP499 4.2 61.2 1.0
C B:ASP499 4.2 61.5 1.0
CA B:ASP499 4.3 62.0 1.0
CE2 B:TRP477 4.3 64.6 1.0
NZ B:LYS481 4.3 69.3 1.0
CZ2 B:TRP165 4.4 54.6 1.0
CE B:LYS481 4.6 69.3 1.0
CE2 B:TRP478 4.7 70.8 1.0
N B:PRO500 4.8 60.9 1.0
OD2 B:ASP499 4.8 61.2 1.0
CG B:ARG169 4.8 74.6 1.0
NH2 B:ARG169 4.9 71.6 1.0
CE2 B:TRP165 4.9 54.2 1.0
NE1 B:TRP165 4.9 54.6 1.0

Reference:

F.Li, F.Li. N/A N/A.
ISSN: ISSN 0022-538X
PubMed: 18448527
DOI: 10.1128/JVI.00442-08
Page generated: Sat Dec 12 09:37:33 2020

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