Chlorine in PDB 9p6p: Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah).

The structure of Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah)., PDB code: 9p6p was solved by G.Minasov, L.Shuvalova, N.Maltseva, Y.Kim, O.Kiryukhina, A.Joachimiak, K.J.F.Satchell, Center For Structural Biology Of Infectious Diseases(Csbid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.46 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.471, 168.471, 99.945, 90, 90, 120
R / Rfree (%)	16.8 / 19.3

The structure of Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). (pdb code 9p6p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah)., PDB code: 9p6p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:65.8 occ:1.00 N A:GLU147 3.1 34.5 1.0 O A:HOH611 3.2 55.0 1.0 O4 A:SO4311 3.8 111.5 1.0 CA A:LYS146 3.9 30.6 1.0 CB A:GLU147 3.9 43.4 1.0 CA A:GLU147 3.9 38.3 1.0 C A:LYS146 3.9 32.6 1.0 CB A:LYS146 4.1 30.1 1.0 CD A:LYS146 4.2 30.9 1.0 C A:GLU147 4.3 36.3 1.0 CG A:GLU147 4.3 52.7 1.0 NZ A:LYS135 4.4 72.6 1.0 N A:GLY148 4.4 36.0 1.0 CE A:LYS135 4.6 66.8 1.0 O A:HOH437 4.7 47.5 1.0 CG A:LYS146 4.8 29.9 1.0 O A:GLU147 5.0 34.4 1.0 O A:HOH590 5.0 38.2 0.5 O A:SER145 5.0 30.8 1.0

Chlorine binding site 2 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:71.2 occ:0.60 N A:SER261 3.1 54.0 1.0 CB A:SER261 3.8 64.7 1.0 CA A:MET260 3.8 53.1 1.0 C A:MET260 3.9 53.2 1.0 CA A:SER261 3.9 58.8 1.0 O A:HOH458 4.0 54.6 1.0 CB A:MET260 4.0 59.3 1.0 O A:SER261 4.1 61.4 1.0 C A:SER261 4.6 60.6 1.0 O A:VAL259 4.9 44.6 1.0

Chlorine binding site 3 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:71.8 occ:0.80 N A:ILE112 3.0 39.2 1.0 OG A:SER292 3.6 44.0 0.4 O A:ILE112 3.6 41.8 1.0 CA A:LEU111 3.8 38.7 1.0 O A:HOH601 3.8 57.8 1.0 C A:LEU111 3.8 38.4 1.0 CA A:ILE112 3.9 40.2 1.0 CB A:ILE112 3.9 44.0 1.0 CG1 A:ILE112 4.2 43.3 1.0 O A:THR110 4.2 39.1 1.0 C A:ILE112 4.2 40.3 1.0 CB A:SER292 4.4 41.6 0.4 CD2 A:LEU111 4.4 46.3 1.0 CB A:SER292 4.4 42.1 0.6 CB A:LEU111 4.6 41.3 1.0 OG A:SER292 4.7 43.6 0.6 N A:LEU111 4.8 36.7 1.0 C A:THR110 4.9 38.6 1.0

Chlorine binding site 4 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:78.5 occ:1.00 N A:SER33 3.4 40.9 1.0 O A:HOH606 3.6 55.7 0.5 CB A:SER33 4.0 50.3 1.0 CA A:ASP32 4.0 40.4 1.0 OG A:SER33 4.1 57.6 1.0 C A:ASP32 4.2 40.8 1.0 CA A:SER33 4.3 44.4 1.0 CB A:ASP32 4.6 40.7 1.0 OD1 A:ASP32 4.7 44.9 1.0 O A:GLY31 4.8 45.5 1.0 O A:SER33 4.9 39.4 1.0 O A:HOH524 4.9 37.8 0.5 CG A:ASP32 4.9 44.7 1.0

Chlorine binding site 5 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:92.4 occ:1.00 CA C:SER2 3.2 90.2 1.0 N C:SER2 3.6 103.4 1.0 CB C:TRP5 3.6 53.9 1.0 C C:SER2 3.8 72.0 1.0 N C:TRP5 3.8 44.3 1.0 O C:SER2 4.1 63.7 1.0 CA C:TRP5 4.3 47.1 1.0 CB C:SER2 4.3 92.6 1.0 N C:ALA0 4.4 107.8 1.0 N C:GLN3 4.4 63.6 1.0 N C:ALA4 4.5 44.6 1.0 C C:ALA4 4.6 42.9 1.0 CB C:ALA4 4.6 47.0 1.0 OG C:SER2 4.7 97.3 1.0 CG C:TRP5 4.8 63.0 1.0 CA C:ALA4 4.8 44.5 1.0 C C:SER1 4.9 116.8 1.0

Chlorine binding site 6 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:71.3 occ:1.00 O C:HOH599 2.9 38.5 0.5 N C:GLU147 3.2 39.3 1.0 O C:HOH579 3.2 51.2 1.0 O2 C:SO4312 3.6 113.3 1.0 CA C:LYS146 3.9 35.1 1.0 CB C:GLU147 4.0 48.3 1.0 CA C:GLU147 4.0 43.8 1.0 C C:LYS146 4.0 36.5 1.0 CB C:LYS146 4.2 34.2 1.0 CD C:LYS146 4.2 36.1 1.0 C C:GLU147 4.3 39.7 1.0 CG C:GLU147 4.3 58.1 1.0 N C:GLY148 4.4 39.2 1.0 NZ C:LYS135 4.5 73.2 1.0 O C:HOH421 4.6 50.2 1.0 CE C:LYS135 4.6 68.0 1.0 CG C:LYS146 4.8 34.9 1.0 S C:SO4312 4.8 123.0 1.0 O C:GLU147 5.0 38.3 1.0

Chlorine binding site 7 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:61.1 occ:0.60 N C:LYS24 3.1 42.1 1.0 CA C:GLU23 3.7 49.9 1.0 CB C:LYS24 3.8 47.7 1.0 CB C:GLU23 3.8 56.4 1.0 C C:GLU23 3.9 46.0 1.0 CA C:LYS24 4.0 43.3 1.0 CG C:GLU23 4.3 66.8 1.0 O C:HOH459 4.3 55.0 1.0 O C:LYS24 4.9 39.1 1.0

Chlorine binding site 8 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 8 of Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:93.0 occ:1.00 ND2 C:ASN138 2.8 54.9 0.3 ND2 C:ASN138 3.6 47.3 0.7 O C:HOH483 3.7 53.3 1.0 CG C:ASN138 3.8 51.1 0.3 CB C:LYS135 3.8 51.1 1.0 CB C:ASN138 4.1 48.7 0.3 CB C:ASN138 4.1 44.8 0.7 CG C:ASN138 4.4 47.4 0.7 CA C:LYS135 4.5 45.0 1.0 O C:LYS135 4.6 41.2 1.0 CG C:LYS135 4.9 56.9 1.0 OD1 C:ASN138 4.9 51.0 0.3 CD C:LYS135 4.9 64.7 1.0

Chlorine binding site 9 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 9 of Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:78.0 occ:0.80 NH1 C:ARG216 3.2 53.4 1.0 NE C:ARG216 3.7 50.4 1.0 CZ C:ARG216 3.9 54.5 1.0 O C:HOH482 4.4 48.6 1.0 CB C:ARG216 4.8 45.7 1.0 CD C:ARG216 4.9 47.9 1.0

Chlorine binding site 10 out of 11 in the Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) 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 10 of Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl203 b:87.6 occ:0.80 OG1 D:THR118 3.1 85.2 1.0 NZ D:LYS124 3.3 91.8 1.0 CG2 D:THR118 3.6 84.3 1.0 CE D:LYS124 3.7 85.8 1.0 N D:THR118 3.7 75.1 1.0 CB D:THR118 3.8 82.2 1.0 CA D:THR118 4.4 77.1 1.0 O D:VAL116 4.7 66.8 1.0 CA D:CYS117 4.7 72.1 1.0 C D:CYS117 4.7 71.7 1.0

G.Minasov, L.Shuvalova, N.Maltseva, Y.Kim, O.Kiryukhina, A.Joachimiak, K.J.F.Satchell, Center For Structural Biology Of Infectious Diseases (Csbid). Crystal Structure of the Sars-Cov-2 2'-O-Methyltransferase with (M7GPPPA)Pupu (Cap-0) and S-Adenosyl-L-Homocysteine (Sah). To Be Published.