Chlorine in PDB 9d5w: Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae

The structure of Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae, PDB code: 9d5w was solved by Y.Kim, N.Maltseva, S.Grimshaw, A.Joachimiak, Center For Structuralbiology Of Infectious Diseases (Csbid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.11 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	118.044, 105.816, 118.124, 90, 119.92, 90
R / Rfree (%)	19.4 / 22.9

The structure of Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae also contains other interesting chemical elements:

Potassium

(K)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae (pdb code 9d5w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae, PDB code: 9d5w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:40.0 occ:1.00 NH2 A:ARG145 3.5 37.8 1.0 O A:HOH464 3.7 40.5 1.0 CZ A:ARG145 4.2 38.4 1.0 NH1 A:ARG145 4.3 40.0 1.0 O G:HOH425 4.9 39.7 1.0

Chlorine binding site 2 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:31.6 occ:1.00 NH1 A:ARG95 2.6 35.5 1.0 K A:K305 2.8 44.3 1.0 NH2 A:ARG95 3.0 34.6 1.0 OD1 A:ASN139 3.0 27.8 1.0 CZ A:ARG95 3.2 34.6 1.0 CZ A:PHE70 3.4 28.8 1.0 N A:ASN139 3.7 28.8 1.0 N A:THR90 3.7 27.4 1.0 CG A:ASN139 3.8 28.9 1.0 O A:HOH430 4.1 25.9 1.0 O A:GLN88 4.1 26.9 1.0 CE2 A:PHE70 4.1 28.4 1.0 CA A:ILE89 4.2 28.3 1.0 CA A:SER138 4.2 27.8 1.0 CB A:ASN139 4.2 29.2 1.0 CE1 A:PHE70 4.3 28.2 1.0 CB A:THR90 4.4 28.8 1.0 OG1 A:THR90 4.4 28.9 1.0 C A:ILE89 4.5 27.4 1.0 C A:SER138 4.5 28.5 1.0 CB A:SER138 4.5 27.3 1.0 NE A:ARG95 4.5 34.6 1.0 CA A:ASN139 4.6 29.1 1.0 CA A:THR90 4.6 28.2 1.0 CD1 A:ILE89 4.7 28.3 1.0 O A:THR90 4.8 29.6 1.0 CG2 A:ILE89 4.8 29.5 1.0 ND2 A:ASN139 4.8 29.2 1.0 C A:GLN88 4.9 27.0 1.0

Chlorine binding site 3 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:29.4 occ:1.00 NH1 B:ARG95 2.7 28.9 1.0 OD1 B:ASN139 2.9 27.7 1.0 NH2 B:ARG95 3.0 29.6 1.0 N B:ASN139 3.2 29.7 1.0 K B:K305 3.3 44.5 1.0 CZ B:ARG95 3.3 28.7 1.0 CZ B:PHE70 3.4 25.8 1.0 CA B:SER138 3.7 35.1 1.0 C3 B:PGO301 3.8 27.5 1.0 CG B:ASN139 3.8 27.6 1.0 C B:SER138 3.9 35.8 1.0 CB B:ASN139 4.0 27.0 1.0 CE2 B:PHE70 4.0 26.1 1.0 CB B:SER138 4.1 35.2 1.0 CA B:ASN139 4.2 28.3 1.0 N B:THR90 4.2 24.4 1.0 CE1 B:PHE70 4.3 24.4 1.0 O B:GLN88 4.5 24.7 1.0 NE B:ARG95 4.6 29.5 1.0 O B:GLY137 4.6 29.4 1.0 CB B:THR90 4.7 25.4 1.0 OG1 B:THR90 4.7 26.2 1.0 CA B:ILE89 4.7 25.2 1.0 CD1 B:ILE89 4.9 23.9 1.0 N B:SER138 4.9 34.5 1.0

Chlorine binding site 4 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:27.5 occ:1.00 NE2 B:GLN218 3.3 22.4 1.0 N B:PHE101 3.7 23.3 1.0 O B:PHE101 3.8 21.3 1.0 CD B:GLN218 4.4 23.1 1.0 CB B:PHE101 4.4 20.9 1.0 CA B:PHE101 4.4 21.1 1.0 C B:PHE101 4.5 20.7 1.0 CA B:LEU100 4.5 23.9 1.0 C B:LEU100 4.6 25.6 1.0 CD2 B:LEU100 4.7 23.1 1.0 OE1 B:GLN218 4.7 23.4 1.0 CB B:LEU100 5.0 25.0 1.0

Chlorine binding site 5 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:31.4 occ:1.00 ND2 C:ASN135 3.4 29.1 1.0 CG C:ASN135 4.1 28.6 1.0 O C:HOH409 4.2 26.4 1.0 CZ C:PHE70 4.2 26.2 1.0 CE2 C:PHE140 4.3 28.2 1.0 CE1 C:PHE70 4.3 25.6 1.0 CE2 C:PHE70 4.4 25.7 1.0 CB C:ASN135 4.4 26.8 1.0 CD1 C:PHE70 4.5 24.2 1.0 CB C:SER138 4.5 25.5 1.0 CD2 C:PHE70 4.5 24.6 1.0 CZ C:TYR33 4.6 25.7 1.0 CE2 C:TYR33 4.6 27.1 1.0 O C:HOH422 4.6 26.8 1.0 CG C:PHE70 4.6 24.3 1.0 CD2 C:PHE140 4.6 29.2 1.0 OH C:TYR33 4.7 25.6 1.0 ND2 C:ASN87 4.7 25.3 1.0 SD C:MET176 4.8 30.0 1.0 OD1 C:ASN135 4.9 31.0 1.0 CE1 C:TYR33 5.0 25.9 1.0 CD2 C:TYR33 5.0 27.1 1.0

Chlorine binding site 6 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:35.1 occ:1.00 K C:K304 2.7 29.4 1.0 NH1 C:ARG95 2.8 27.0 1.0 OD1 C:ASN139 3.0 28.2 1.0 NH2 C:ARG95 3.2 24.3 1.0 CZ C:ARG95 3.5 25.1 1.0 N C:THR90 3.6 24.2 1.0 CZ C:PHE70 3.6 26.2 1.0 CG C:ASN139 3.8 28.5 1.0 N C:ASN139 3.8 27.4 1.0 O C:GLN88 4.0 24.1 1.0 CA C:ILE89 4.0 24.0 1.0 CB C:ASN139 4.2 26.8 1.0 CD1 C:ILE89 4.3 24.0 1.0 C C:ILE89 4.3 24.0 1.0 CB C:THR90 4.3 25.9 1.0 CE2 C:PHE70 4.3 25.7 1.0 CA C:SER138 4.4 25.2 1.0 OG1 C:THR90 4.4 24.2 1.0 CE1 C:PHE70 4.5 25.6 1.0 CB C:SER138 4.5 25.5 1.0 CA C:THR90 4.5 25.2 1.0 C C:SER138 4.6 26.8 1.0 CA C:ASN139 4.7 27.1 1.0 ND2 C:ASN139 4.7 27.7 1.0 C C:GLN88 4.8 24.1 1.0 NE C:ARG95 4.8 24.9 1.0 CG2 C:ILE89 4.8 24.0 1.0 N C:ILE89 4.8 23.9 1.0 CB C:ILE89 4.9 24.0 1.0 O C:THR90 4.9 24.9 1.0

Chlorine binding site 7 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:27.8 occ:1.00 K E:K302 2.8 47.7 1.0 NH2 E:ARG95 2.8 25.9 1.0 OD1 E:ASN139 3.0 26.8 1.0 N E:ASN139 3.0 28.0 1.0 NH1 E:ARG95 3.2 24.1 1.0 CZ E:PHE70 3.4 26.2 1.0 CZ E:ARG95 3.4 24.4 1.0 CA E:SER138 3.5 28.8 1.0 CB E:SER138 3.7 27.4 1.0 C E:SER138 3.7 28.2 1.0 CG E:ASN139 3.8 27.4 1.0 CB E:ASN139 3.8 29.3 1.0 O E:HOH475 3.9 35.8 1.0 CE2 E:PHE70 3.9 27.4 1.0 CA E:ASN139 4.0 28.3 1.0 CE1 E:PHE70 4.4 26.1 1.0 N E:THR90 4.4 24.7 1.0 O E:GLN88 4.5 24.5 1.0 OG1 E:THR90 4.6 24.2 1.0 CB E:THR90 4.7 24.1 1.0 NE E:ARG95 4.7 24.0 1.0 O E:GLY137 4.8 26.4 1.0 N E:SER138 4.8 29.5 1.0 OG E:SER138 4.8 27.1 1.0 O E:SER138 4.9 27.4 1.0 CA E:ILE89 5.0 25.5 1.0

Chlorine binding site 8 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl301 b:29.6 occ:1.00 N F:ASP159 3.3 32.3 1.0 N F:THR160 3.4 31.5 1.0 CE1 H:HIS164 3.6 32.9 1.0 CB F:ASP159 3.7 31.9 1.0 O F:THR160 3.7 28.4 1.0 CA F:ASP159 3.8 32.4 1.0 OG1 F:THR160 3.8 33.1 1.0 NE2 H:HIS164 4.0 33.0 1.0 C F:ASP159 4.1 33.1 1.0 CD1 F:TYR158 4.2 26.9 1.0 C F:TYR158 4.2 27.9 1.0 CD1 H:LEU168 4.3 32.8 1.0 CA F:THR160 4.3 31.2 1.0 ND1 H:HIS164 4.4 33.9 1.0 CA F:TYR158 4.4 27.6 1.0 C F:THR160 4.4 29.5 1.0 CD2 H:LEU168 4.5 30.2 1.0 CB F:TYR158 4.6 27.8 1.0 CB F:THR160 4.7 31.4 1.0 CG F:ASP159 4.8 32.1 1.0 CG F:TYR158 4.9 28.5 1.0 CD2 H:HIS164 5.0 33.2 1.0 CG H:LEU168 5.0 30.8 1.0

Chlorine binding site 9 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl302 b:30.1 occ:1.00 ND2 F:ASN135 3.4 28.9 1.0 CE2 F:PHE140 4.0 25.8 1.0 CZ F:TYR33 4.0 24.4 1.0 OH F:TYR33 4.1 24.9 1.0 CE2 F:TYR33 4.2 23.9 1.0 CG F:ASN135 4.4 27.0 1.0 CD2 F:PHE140 4.4 26.0 1.0 CE1 F:TYR33 4.5 24.1 1.0 CG F:MET176 4.5 27.3 1.0 ND2 F:ASN87 4.5 22.9 1.0 CB F:ASN135 4.6 27.2 1.0 CL F:CL303 4.6 31.5 1.0 CD2 F:TYR33 4.8 23.6 1.0 CZ F:PHE70 4.8 22.7 1.0 CE1 F:PHE70 4.9 22.1 1.0

Chlorine binding site 10 out of 17 in the Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae


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 Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl303 b:31.5 occ:1.00 O F:HOH424 3.1 29.0 1.0 ND2 F:ASN135 3.5 28.9 1.0 OG F:SER30 3.5 24.9 1.0 O F:HOH435 3.7 25.6 1.0 CB F:SER30 4.0 24.6 1.0 O F:ARG32 4.1 30.7 1.0 OD1 F:ASN135 4.2 26.0 1.0 CG F:ASN135 4.2 27.0 1.0 CB F:PHE70 4.2 23.5 1.0 CB F:TYR33 4.2 24.5 1.0 O F:ASP159 4.4 33.4 1.0 CG F:TYR33 4.4 24.0 1.0 ND2 F:ASN87 4.5 22.9 1.0 CL F:CL302 4.6 30.1 1.0 C F:ARG32 4.7 30.4 1.0 CG F:PHE70 4.7 23.0 1.0 CD1 F:TYR33 4.8 24.1 1.0 CD2 F:TYR33 4.8 23.6 1.0 CA F:TYR33 4.9 23.9 1.0 CD1 F:PHE70 5.0 22.2 1.0

Y.Kim, N.Maltseva, S.Grimshaw, A.Joachimiak. Crystal Structure of the Substrate Binding Domain Protein of the Abc Transporter PBP2_YXEM From Vibrio Cholerae To Be Published.