Chlorine in PDB 9ow2: Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630

The structure of Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630, PDB code: 9ow2 was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, K.J.F.Satchell, Center Forstructural Biology Of Infectious Diseases (Csbid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.55 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.08, 94.872, 57.093, 90, 89.99, 90
R / Rfree (%)	17.9 / 22.4

The structure of Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 (pdb code 9ow2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630, PDB code: 9ow2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:25.5 occ:1.00 ND2 A:ASN84 3.0 30.1 1.0 O A:HOH552 3.1 26.2 1.0 N A:ASN103 3.1 19.0 1.0 CB A:ASN84 3.6 30.2 1.0 CG A:ASN84 3.7 31.9 1.0 CA A:TYR102 3.8 18.6 1.0 C A:TYR102 3.9 16.7 1.0 CB A:ASN103 4.0 22.4 1.0 CD1 A:ILE87 4.0 31.1 1.0 CD2 A:LEU81 4.0 23.7 1.0 CA A:ASN103 4.1 22.1 1.0 CD1 A:LEU107 4.1 19.9 1.0 CB A:TYR102 4.2 19.6 1.0 CD1 A:TYR102 4.3 19.0 1.0 CG2 A:ILE80 4.4 19.7 1.0 O A:ILE80 4.5 22.4 1.0 CA A:LEU81 4.5 21.7 1.0 CG A:LEU107 4.6 18.3 1.0 C A:ASN103 4.7 22.6 1.0 CG A:TYR102 4.7 19.6 1.0 C A:ILE80 4.8 21.9 1.0 CD2 A:LEU107 4.8 17.8 1.0 O A:ASN103 4.9 23.3 1.0 OD1 A:ASN84 4.9 30.8 1.0 N A:LEU81 4.9 24.7 1.0 O A:PRO101 5.0 18.7 1.0 CA A:ASN84 5.0 30.3 1.0 CG1 A:ILE87 5.0 30.0 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:33.7 occ:1.00 CE A:LYS170 3.2 31.2 1.0 NZ A:LYS170 3.3 26.9 1.0 N A:SER137 3.3 23.7 1.0 O A:SER137 3.7 22.8 1.0 O A:ILE135 3.8 21.8 1.0 CA A:ASN136 3.9 23.1 1.0 C A:ASN136 4.1 23.6 1.0 CE A:LYS166 4.2 44.7 1.0 CA A:SER137 4.3 23.2 1.0 C A:SER137 4.4 24.4 1.0 CD A:LYS170 4.6 29.4 1.0 CB A:SER137 4.6 22.2 1.0 C A:ILE135 4.7 20.8 1.0 CB A:ASN136 4.7 25.0 1.0 N A:ASN136 4.8 21.2 1.0 NZ A:LYS166 4.9 50.6 1.0 OD1 A:ASN136 5.0 23.5 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:43.2 occ:1.00 N A:ASN96 2.8 29.6 1.0 CB A:ASN96 3.2 45.2 1.0 CA A:ASN96 3.4 33.9 1.0 O A:ASN96 3.9 32.0 1.0 CG1 A:ILE95 3.9 29.2 1.0 C A:ILE95 3.9 26.6 1.0 C A:ASN96 3.9 34.7 1.0 CA A:ILE95 4.1 29.7 1.0 CG A:ASN96 4.5 56.0 1.0 CB A:ILE95 4.6 29.6 1.0 N A:ALA97 4.9 29.6 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:34.3 occ:1.00 NE2 A:GLN108 3.3 19.1 1.0 CE A:MET119 3.5 29.6 1.0 C33 A:PE3408 4.0 39.5 1.0 C32 A:PE3408 4.3 38.3 1.0 CD A:GLN108 4.5 17.7 1.0 CG2 A:VAL112 4.5 29.3 1.0 O31 A:PE3408 4.6 37.1 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:58.6 occ:1.00 O A:HOH571 2.9 24.8 1.0 N A:THR165 3.8 22.4 1.0 CB A:THR165 3.9 24.7 1.0 CB A:SER164 4.1 23.3 1.0 OG1 A:THR165 4.3 24.6 1.0 N A:LYS166 4.4 24.5 1.0 CA A:THR165 4.4 22.7 1.0 C A:SER164 4.7 21.6 1.0 CA A:SER164 4.8 20.4 1.0 OG A:SER164 4.8 22.1 1.0 C A:THR165 4.9 22.5 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:23.5 occ:1.00 O B:HOH557 3.1 26.2 1.0 N B:ASN103 3.2 19.9 1.0 ND2 B:ASN84 3.2 31.9 1.0 CB B:ASN84 3.7 29.7 1.0 CG B:ASN84 3.9 32.2 1.0 CA B:TYR102 3.9 19.8 1.0 CD1 B:LEU107 3.9 18.0 1.0 CB B:ASN103 4.0 23.0 1.0 CD1 B:ILE87 4.0 36.8 1.0 CD2 B:LEU81 4.0 22.7 1.0 C B:TYR102 4.0 17.3 1.0 CA B:ASN103 4.1 20.8 1.0 CG2 B:ILE80 4.2 16.6 1.0 CB B:TYR102 4.4 19.8 1.0 CG B:LEU107 4.4 16.9 1.0 CD1 B:TYR102 4.4 19.6 1.0 CA B:LEU81 4.5 21.3 1.0 O B:ILE80 4.5 18.6 1.0 C B:ASN103 4.7 22.2 1.0 CD2 B:LEU107 4.7 17.3 1.0 C B:ILE80 4.7 17.9 1.0 N B:LEU81 4.8 19.4 1.0 O B:ASN103 4.8 21.0 1.0 CG B:TYR102 4.9 20.9 1.0 CG1 B:ILE87 5.0 36.4 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:35.6 occ:1.00 CE B:LYS170 3.2 31.7 1.0 NZ B:LYS170 3.3 27.7 1.0 N B:SER137 3.4 22.2 1.0 CE B:LYS166 3.7 42.5 1.0 O B:SER137 3.7 19.3 1.0 NZ B:LYS166 3.7 48.5 1.0 CA B:ASN136 3.8 22.2 1.0 O B:ILE135 3.9 20.3 1.0 C B:ASN136 4.1 21.1 1.0 CA B:SER137 4.3 20.8 1.0 C B:SER137 4.4 22.9 1.0 CB B:SER137 4.6 19.5 1.0 CB B:ASN136 4.6 22.7 1.0 CD B:LYS170 4.7 29.3 1.0 C B:ILE135 4.7 20.7 1.0 N B:ASN136 4.8 20.5 1.0 CD B:LYS166 4.8 39.0 1.0 OD1 B:ASN136 4.9 24.5 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630


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 Surface Protein (CD630_07380) From Clostridium Difficile Strain 630 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:58.3 occ:1.00 OD1 B:ASN96 2.7 42.4 1.0 N B:ASN96 2.9 26.8 1.0 CG B:ASN96 3.1 40.3 1.0 CA B:ILE95 3.5 28.9 1.0 CB B:ASN96 3.6 31.4 1.0 C B:ILE95 3.6 27.4 1.0 ND2 B:ASN96 3.8 40.1 1.0 CA B:ASN96 3.8 30.5 1.0 CG1 B:ILE95 4.1 31.5 1.0 CB B:ILE95 4.4 27.7 1.0 O B:SER94 4.4 26.5 1.0 N B:ILE95 4.5 27.2 1.0 O B:ILE95 4.7 27.7 1.0 C B:ASN96 4.7 30.7 1.0 C B:SER94 4.8 29.4 1.0 CD B:LYS34 4.9 59.9 1.0 O B:ASN96 5.0 34.3 1.0

G.Minasov, L.Shuvalova, O.Kiryukhina, K.J.F.Satchell, Center For Structural Biology Of Infectious Diseases (Csbid). Crystal Structure of the Surface Protein (CD630_07380) From Clostridium Difficile Strain 630. To Be Published.