Chlorine in PDB 8ufl: Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus

The structure of Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus, PDB code: 8ufl 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), 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)	29.80 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.7, 84.862, 93.602, 90, 90, 90
R / Rfree (%)	21.4 / 26.7

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>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus (pdb code 8ufl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus, PDB code: 8ufl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:85.3 occ:1.00 CB A:GLU498 3.3 71.2 1.0 N A:GLU498 3.3 61.1 1.0 CA A:GLU498 3.9 65.9 1.0 OG1 A:THR496 4.2 64.0 1.0 N A:LEU497 4.2 63.4 1.0 CB A:THR496 4.2 58.4 1.0 CB A:LEU497 4.3 63.6 1.0 C A:LEU497 4.4 59.9 1.0 CA A:LEU497 4.5 60.6 1.0 CG A:GLU498 4.6 77.1 1.0 C A:THR496 4.9 56.4 1.0 OE2 A:GLU498 4.9 74.9 1.0

Chlorine binding site 2 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:74.5 occ:1.00 NZ A:LYS522 3.2 105.8 1.0 CE A:LYS522 3.8 97.8 1.0 CD A:LYS522 4.7 96.3 1.0

Chlorine binding site 3 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:73.7 occ:1.00 NZ A:LYS595 3.4 71.8 1.0 CE A:LYS595 3.7 65.0 1.0 CD A:LYS595 3.7 62.7 1.0 CG A:LYS595 4.7 58.1 1.0

Chlorine binding site 4 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:63.9 occ:1.00 N A:ILE573 3.1 30.6 1.0 CG1 A:ILE573 3.6 33.3 1.0 CB A:ILE573 3.7 33.2 1.0 CA A:GLY572 3.9 31.6 1.0 CA A:ILE573 4.0 30.8 1.0 C A:GLY572 4.0 31.5 1.0 O A:HOH831 4.3 25.9 1.0 CE A:LYS595 4.5 65.0 1.0 NZ A:LYS595 4.6 71.8 1.0 O A:ILE573 4.8 34.6 1.0 CD1 A:ILE573 4.9 33.9 1.0 CE1 A:PHE581 4.9 34.7 1.0 C A:ILE573 4.9 31.6 1.0

Chlorine binding site 5 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:77.5 occ:1.00 N A:ASN520 2.9 81.4 1.0 CA A:ASN520 3.3 77.8 1.0 O A:ALA518 3.6 104.2 1.0 N A:ALA521 3.6 63.4 1.0 C A:ASN520 3.8 68.5 1.0 C A:PRO519 3.9 92.6 1.0 N A:LYS522 4.2 67.2 1.0 CA A:PRO519 4.3 102.6 1.0 CG A:LYS522 4.4 91.1 1.0 OD1 A:ASN520 4.4 87.9 1.0 CB A:LYS522 4.6 84.0 1.0 CD A:LYS522 4.6 96.3 1.0 C A:ALA518 4.6 105.6 1.0 CB A:ASN520 4.7 82.3 1.0 CA A:ALA521 4.8 59.4 1.0 O A:ASN520 4.8 66.0 1.0 O A:PRO519 4.8 90.9 1.0

Chlorine binding site 6 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:60.4 occ:1.00 OH A:TYR610 3.5 40.1 1.0 CE1 A:TYR610 3.8 38.2 1.0 CZ A:TYR610 4.1 37.6 1.0 N A:LEU617 4.4 44.9 1.0 CB A:ASN616 4.7 56.2 1.0 CB A:LEU617 4.7 43.1 1.0 CA A:ASN616 5.0 51.2 1.0 CD1 A:TYR610 5.0 37.4 1.0

Chlorine binding site 7 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:67.7 occ:1.00 O A:HOH819 2.9 34.5 1.0 N A:VAL448 3.0 30.1 1.0 O A:VAL448 3.4 32.3 1.0 CA A:ASP447 3.8 31.0 1.0 C A:ASP447 3.9 30.4 1.0 CA A:VAL448 3.9 28.9 1.0 CB A:VAL448 4.1 27.8 1.0 C A:VAL448 4.1 29.5 1.0 CB A:ASP447 4.2 33.2 1.0 OD1 A:ASP447 4.4 37.5 1.0 CG A:ASP447 4.5 37.6 1.0 CG2 A:VAL448 4.7 28.3 1.0 O A:GLY446 4.7 28.0 1.0

Chlorine binding site 8 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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 Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl708 b:75.6 occ:1.00 CD2 A:TYR422 3.7 47.2 1.0 CE2 A:TYR422 4.4 47.0 1.0 N A:HIS423 4.6 54.7 1.0 CG A:TYR422 4.6 42.6 1.0 CB A:TYR422 4.7 43.3 1.0 CA A:TYR422 4.8 41.9 1.0

Chlorine binding site 9 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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 Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl709 b:57.9 occ:1.00 CA A:GLY452 4.1 28.4 1.0 C A:GLY452 4.3 28.1 1.0 O A:GLY452 4.4 28.9 1.0 OD1 A:ASP453 4.7 36.1 1.0 N A:GLY452 4.8 30.6 1.0 O2 A:SO4713 4.8 98.0 1.0

Chlorine binding site 10 out of 16 in the Crystal Structure of Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus


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 Sars-Unique Domain (Sud) of NSP3 From Sars Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:62.2 occ:1.00 O B:HOH841 2.8 39.7 1.0 OG1 B:THR594 3.5 62.3 1.0 CG2 B:THR594 3.9 64.2 1.0 ND2 B:ASN597 3.9 44.6 1.0 CA B:THR594 3.9 56.0 1.0 CB B:THR594 4.0 60.5 1.0 NZ B:LYS628 4.5 69.5 1.0 CB B:ASN597 4.7 45.6 1.0 N B:THR594 4.8 50.9 1.0 CG B:ASN597 4.8 43.7 1.0 O B:THR594 4.8 60.5 1.0 C B:THR594 4.9 56.3 1.0

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-Unique Domain (Sud) of NSP3 From Sars Coronavirus To Be Published.