Chlorine in PDB 9fgo: Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site

The structure of Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site, PDB code: 9fgo was solved by X.Ni, L.Koekemoer, E.P.Williams, S.Wang, N.D.Wright, A.S.Godoy, J.C.Aschenbrenner, B.H.Balcomb, R.M.Lithgo, P.G.Marples, M.Fairhead, W.Thompson, K.Kirkegaard, D.Fearon, M.A.Walsh, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.69 / 1.43
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	61.544, 61.544, 78.932, 90, 90, 120
R / Rfree (%)	15.1 / 16.5

The structure of Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site (pdb code 9fgo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site, PDB code: 9fgo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site


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 Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:16.6 occ:1.00 O A:HOH379 3.2 18.5 1.0 O A:HOH394 3.2 17.8 1.0 NE2 A:HIS71 3.3 15.4 1.0 NH2 A:ARG115 3.4 18.8 1.0 CB A:TYR64 4.0 13.9 1.0 CD2 A:HIS71 4.2 15.3 1.0 CE1 A:HIS71 4.3 15.2 1.0 CZ A:ARG115 4.3 18.8 1.0 CG A:TYR64 4.4 14.0 1.0 NE A:ARG115 4.5 18.7 1.0 CB A:ILE113 4.7 15.9 1.0 O A:HOH420 4.8 33.7 1.0 CD1 A:TYR64 4.8 14.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site


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 Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.4 occ:1.00 C A:GLY128 3.6 17.3 1.0 N A:ASN129 3.6 17.2 1.0 CA A:GLY128 3.6 16.4 1.0 CB A:ASN129 3.8 18.9 1.0 O A:GLY128 4.3 17.7 1.0 CA A:ASN129 4.3 18.6 1.0 O A:HOH371 4.3 35.0 1.0 CA A:ILE-3 4.8 15.5 1.0 N A:ILE-3 4.8 15.8 1.0 N A:GLY128 4.8 15.3 1.0 O A:GLY127 4.8 15.3 1.0 CG A:ASN129 4.9 21.4 1.0 O A:HOH399 5.0 29.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site


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 Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:23.6 occ:1.00 OG A:SER36 2.7 25.1 0.5 O A:HOH424 2.9 25.1 1.0 OG A:SER36 3.0 13.2 0.5 NE A:ARG93 3.2 19.0 1.0 C A:SER36 3.5 14.8 1.0 CB A:SER36 3.5 18.7 0.5 N A:SER37 3.5 15.2 1.0 O A:SER36 3.6 15.1 1.0 CB A:SER36 3.6 13.4 0.5 CA A:SER37 3.7 15.2 1.0 CD A:ARG93 3.8 21.0 1.0 CA A:SER36 4.1 16.6 0.5 CZ A:ARG93 4.1 17.1 1.0 CA A:SER36 4.2 14.2 0.5 CG A:ARG93 4.2 23.6 1.0 NH2 A:ARG93 4.3 18.2 1.0 CB A:SER37 4.4 16.2 1.0 O A:HOH449 4.5 38.6 1.0 CD1 A:TYR90 4.5 14.9 1.0 O A:HOH417 4.7 38.9 1.0 CE1 A:TYR90 4.7 15.0 1.0 O A:HOH388 4.9 39.1 1.0 C A:SER37 4.9 14.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site


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 Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:36.1 occ:1.00 O A:HOH430 2.7 36.2 1.0 N A:GLN59 3.0 16.8 1.0 N A:THR60 3.4 16.9 1.0 O A:HOH431 3.5 43.6 1.0 OG1 A:THR60 3.5 16.7 0.5 CG2 A:THR60 3.7 17.7 0.5 CA A:CYS58 3.8 18.1 1.0 CA A:GLN59 3.9 16.1 1.0 C A:GLN59 3.9 16.5 1.0 C A:CYS58 3.9 17.0 1.0 CB A:THR60 4.1 17.1 0.5 CB A:THR60 4.1 20.4 0.5 CB A:GLN59 4.2 17.6 1.0 CB A:CYS58 4.2 17.2 1.0 OG1 A:THR60 4.2 22.9 0.5 CA A:THR60 4.4 18.0 0.5 CA A:THR60 4.4 16.6 0.5 SG A:CYS58 4.6 20.2 1.0 O A:HOH428 4.8 34.1 1.0 O A:GLN59 4.8 17.4 1.0 O A:THR60 4.8 17.5 1.0 O A:ASN57 4.9 21.1 1.0

X.Ni, L.Koekemoer, E.P.Williams, S.Wang, N.D.Wright, A.S.Godoy, J.C.Aschenbrenner, B.H.Balcomb, R.M.Lithgo, P.G.Marples, M.Fairhead, W.Thompson, K.Kirkegaard, D.Fearon, M.A.Walsh, F.Von Delft. Crystal Structure of Enterovirus 71 2A Protease Mutant C110A Containing VP1-2A Junction in the Active Site To Be Published.