Chlorine in PDB 7jz0: Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).

Protein crystallography data

The structure of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah)., PDB code: 7jz0 was solved by G.Minasov, L.Shuvalova, M.Rosas-Lemus, O.Kiryukhina, J.S.Brunzelle, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.15
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 167.238, 167.238, 98.867, 90.00, 90.00, 120.00
R / Rfree (%) 17.3 / 19.8

Other elements in 7jz0:

The structure of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). (pdb code 7jz0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah)., PDB code: 7jz0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 1 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


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 Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl7104

b:85.9
occ:1.00
 CG A:ASN6827 3.2 67.4 1.0
ND2 A:ASN6827 3.2 71.2 1.0
CB A:ASN6827 3.3 67.5 1.0
N A:ASN6827 3.8 63.9 1.0
OD1 A:ASN6827 3.8 72.2 1.0
O A:HOH7314 3.8 58.8 1.0
CB A:GLN6826 3.9 69.5 1.0
CB A:PRO7034 3.9 56.9 1.0
O A:HOH7340 3.9 65.7 1.0
O A:HOH7291 4.1 57.4 1.0
CA A:ASN6827 4.1 66.2 1.0
OE1 A:GLN6826 4.2 82.9 1.0
O A:ILE7035 4.2 48.1 1.0
C A:GLN6826 4.3 64.2 1.0
O A:HOH7222 4.6 62.3 1.0
CA A:GLN6826 4.7 63.1 1.0
O A:HOH7292 4.7 42.9 1.0
CA A:PRO7034 4.8 55.0 1.0
C A:ILE7035 4.9 46.1 1.0
N A:ILE7035 5.0 48.1 1.0
CG A:GLN6826 5.0 77.0 1.0

Chlorine binding site 2 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 2 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


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 Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl7105

b:81.4
occ:1.00
 N A:GLU6945 3.0 54.1 1.0
CA A:LYS6944 3.6 45.3 1.0
C A:LYS6944 3.7 48.1 1.0
CA A:GLU6945 4.0 58.3 1.0
CB A:GLU6945 4.2 64.0 1.0
CB A:LYS6944 4.2 44.1 1.0
CD A:LYS6944 4.2 45.2 1.0
O A:SER6943 4.3 45.8 1.0
C A:GLU6945 4.5 60.5 1.0
N A:GLY6946 4.5 55.5 1.0
N A:LYS6944 4.7 44.0 1.0
CG A:GLU6945 4.7 71.2 1.0
CG A:LYS6944 4.8 43.9 1.0
NZ A:LYS6939 4.9 93.2 1.0
C A:SER6943 4.9 44.1 1.0
O A:LYS6944 5.0 47.3 1.0

Chlorine binding site 3 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 3 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl7104

b:73.6
occ:1.00
 N C:ASN6811 3.2 45.7 1.0
CA C:PRO6810 3.7 42.5 1.0
CG C:ASN6811 3.9 51.7 1.0
C C:PRO6810 4.0 43.5 1.0
CB C:ASN6811 4.1 50.8 1.0
CB C:PRO6810 4.1 43.5 1.0
OD1 C:ASN6811 4.2 51.0 1.0
CA C:ASN6811 4.2 47.4 1.0
ND2 C:ASN6811 4.3 53.8 1.0
O C:HOH7362 4.4 51.2 1.0
N C:PRO6810 5.0 40.0 1.0

Chlorine binding site 4 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 4 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl7105

b:79.7
occ:1.00
 N C:ALA6808 2.9 36.9 1.0
OE1 C:GLN6804 3.4 55.0 1.0
CA C:VAL6807 3.5 36.6 1.0
O C:HOH7335 3.7 71.8 1.0
C C:VAL6807 3.7 35.9 1.0
CB C:ALA6808 3.8 39.2 1.0
CA C:ALA6808 3.9 37.6 1.0
CG1 C:VAL6807 4.0 40.8 1.0
O C:GLY6806 4.0 36.5 1.0
O C:ALA6808 4.1 39.5 1.0
CD C:GLN6804 4.3 55.2 1.0
CB C:VAL6807 4.3 39.5 1.0
C C:ALA6808 4.5 39.1 1.0
N C:VAL6807 4.6 35.2 1.0
NE2 C:GLN6804 4.6 59.5 1.0
C C:GLY6806 4.7 36.7 1.0
O C:HOH7230 4.7 50.0 1.0
O C:VAL6807 5.0 35.6 1.0

Chlorine binding site 5 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 5 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl7106

b:94.7
occ:1.00
 O C:HOH7331 3.4 62.6 1.0
OG1 C:THR6949 3.6 55.8 1.0
CA C:TYR6950 3.6 46.9 1.0
O C:HOH7223 3.6 66.0 1.0
N C:TYR6950 3.7 46.8 1.0
CB C:TYR6950 3.7 47.4 1.0
C C:THR6949 4.2 46.8 1.0
CD1 C:TYR6950 4.2 49.2 1.0
CG C:TYR6950 4.4 47.8 1.0
CB C:ALA6914 4.6 52.9 1.0
CB C:THR6949 4.6 50.7 1.0
O C:THR6949 4.6 45.3 1.0
O C:HOH7244 4.7 54.3 1.0
CA C:ALA6914 5.0 51.7 1.0
CA C:THR6949 5.0 47.2 1.0
C C:TYR6950 5.0 44.4 1.0

Chlorine binding site 6 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 6 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl7107

b:89.0
occ:1.00
 O C:HOH7290 3.3 65.2 1.0
NZ C:LYS6958 3.7 52.9 1.0
O C:ALA6919 3.7 60.7 1.0
O C:GLN6957 4.0 48.4 1.0
NZ C:LYS6921 4.0 57.9 1.0
CG C:LYS6921 4.1 50.7 1.0
CD C:LYS6958 4.1 47.9 1.0
C C:ALA6919 4.3 55.4 1.0
CE C:LYS6921 4.3 55.8 1.0
CE C:LYS6958 4.5 52.4 1.0
C C:ASN6920 4.5 48.3 1.0
O C:ASN6920 4.6 47.0 1.0
N C:ASN6920 4.7 53.1 1.0
N C:LYS6921 4.8 46.2 1.0
CA C:ASN6920 4.8 51.5 1.0
CD C:LYS6921 4.8 53.4 1.0

Chlorine binding site 7 out of 7 in 7jz0

Go back to Chlorine Binding Sites List in 7jz0
Chlorine binding site 7 out of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl7108

b:93.9
occ:1.00
 N C:SER6831 3.3 78.9 1.0
CA C:ASP6830 3.9 76.0 1.0
C C:ASP6830 4.1 75.2 1.0
CB C:SER6831 4.1 82.7 1.0
O C:SER6831 4.2 75.1 1.0
CA C:SER6831 4.2 78.3 1.0
CB C:ASP6830 4.3 74.5 1.0
OG C:SER6831 4.5 86.3 1.0
OD1 C:ASP6830 4.6 78.1 1.0
CG C:ASP6830 4.6 76.5 1.0
C C:SER6831 4.7 75.8 1.0

Reference:

G.Minasov, L.Shuvalova, M.Rosas-Lemus, O.Kiryukhina, J.S.Brunzelle, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). To Be Published.
Page generated: Sun Dec 13 10:32:23 2020

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