Chlorine in PDB 4zpj: Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus

The structure of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus, PDB code: 4zpj was solved by J.Osipiuk, J.Holowicki, S.Clancy, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.30 / 2.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.818, 88.531, 99.397, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22.2

The structure of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus also contains other interesting chemical elements:

Zinc

(Zn)

13 atoms

The binding sites of Chlorine atom in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus (pdb code 4zpj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus, PDB code: 4zpj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl514 b:60.6 occ:1.00 ZN A:ZN501 2.1 59.3 1.0 ND1 A:HIS355 3.0 45.8 1.0 CE1 A:HIS355 3.3 44.8 1.0 CD A:ARG102 3.9 40.3 1.0 CL A:CL515 4.1 71.4 1.0 CG A:HIS355 4.3 43.8 1.0 NE2 A:HIS355 4.5 46.5 1.0 CG A:ARG102 4.6 40.3 1.0 NH1 A:ARG102 4.9 42.2 1.0

Chlorine binding site 2 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:71.4 occ:1.00 ZN A:ZN501 3.0 59.3 1.0 CZ A:ARG102 3.7 41.3 1.0 NH1 A:ARG102 3.7 42.2 1.0 NE A:ARG102 3.8 38.4 1.0 CD A:ARG102 3.9 40.3 1.0 CD1 A:ILE358 4.0 49.2 1.0 CL A:CL514 4.1 60.6 1.0 CG2 A:ILE358 4.3 47.9 1.0 NH2 A:ARG102 4.3 38.4 1.0 ND1 A:HIS355 4.3 45.8 1.0 CB A:HIS355 4.5 46.7 1.0 CG A:HIS355 4.6 43.8 1.0 CB A:ILE358 4.6 50.2 1.0 CZ A:PHE351 4.9 39.8 1.0 CG1 A:ILE358 4.9 51.9 1.0

Chlorine binding site 3 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:57.9 occ:1.00 ZN A:ZN502 2.4 42.5 1.0 OD2 A:ASP445 3.1 36.1 1.0 NE2 A:HIS410 3.5 37.6 1.0 CL A:CL517 3.8 58.8 1.0 CD2 A:HIS410 4.2 38.4 1.0 CG A:ASP445 4.3 35.1 1.0 CE1 A:HIS410 4.6 40.2 1.0 OD1 A:ASP445 5.0 36.6 1.0

Chlorine binding site 4 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl517 b:58.8 occ:1.00 ZN A:ZN502 2.5 42.5 1.0 CL A:CL516 3.8 57.9 1.0 OD2 A:ASP445 4.0 36.1 1.0 OD1 A:ASP445 4.1 36.6 1.0 CB A:LEU447 4.1 41.2 1.0 O A:LEU447 4.2 45.9 1.0 C A:LEU447 4.4 42.9 1.0 CG A:ASP445 4.5 35.1 1.0 CB A:SER448 4.5 55.3 1.0 CA A:SER448 4.5 51.0 1.0 N A:SER448 4.7 45.2 1.0 CD1 A:LEU447 4.8 42.9 1.0 CA A:LEU447 4.9 40.8 1.0

Chlorine binding site 5 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl518 b:66.0 occ:1.00 ZN A:ZN503 2.4 46.6 1.0 O A:HOH624 3.3 42.2 1.0 OD2 A:ASP443 3.3 52.0 1.0 O A:HOH633 3.5 44.2 1.0 OD1 A:ASN406 3.6 48.5 1.0 CB A:PRO442 3.8 35.6 1.0 CG A:ASP443 3.9 40.1 1.0 OD1 A:ASP443 3.9 42.2 1.0 CB A:ASN406 4.0 39.3 1.0 CL A:CL519 4.2 70.6 1.0 CG A:ASN406 4.2 40.5 1.0 OG1 A:THR419 4.3 39.6 1.0 CA A:PRO442 4.7 37.8 1.0 N A:ASP443 4.8 35.8 1.0 CG A:PRO442 5.0 36.9 1.0

Chlorine binding site 6 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl519 b:70.6 occ:1.00 ZN A:ZN503 2.6 46.6 1.0 OD1 A:ASP443 3.3 42.2 1.0 NE A:ARG408 3.5 46.1 1.0 CB A:ASN406 3.6 39.3 1.0 OE2 A:GLU399 3.6 59.1 1.0 CD A:ARG408 3.8 40.6 1.0 CL A:CL518 4.2 66.0 1.0 CD A:GLU399 4.3 61.5 1.0 CG A:ARG408 4.3 35.9 1.0 O A:HOH624 4.4 42.2 1.0 CG A:ASP443 4.4 40.1 1.0 CG A:ASN406 4.5 40.5 1.0 C A:ASN406 4.6 34.7 1.0 CA A:ASN406 4.7 36.2 1.0 CZ A:ARG408 4.7 49.5 1.0 CG A:GLU399 4.7 57.8 1.0 N A:PHE407 4.8 34.8 1.0 OD1 A:ASN406 4.8 48.5 1.0 OD2 A:ASP443 4.8 52.0 1.0 NH2 A:ARG408 4.9 51.6 1.0 CB A:ARG408 5.0 34.4 1.0 O A:ASN406 5.0 31.6 1.0

Chlorine binding site 7 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl520 b:75.8 occ:1.00 ZN A:ZN504 3.1 66.1 1.0 CA A:ALA245 3.6 47.1 1.0 O A:GLN244 3.7 48.2 1.0 CB A:ALA245 4.1 46.7 1.0 OE1 A:GLU214 4.2 60.1 1.0 C A:GLN244 4.3 49.7 1.0 N A:ALA245 4.3 49.8 1.0 O A:HOH615 4.5 45.9 1.0 C A:ALA245 4.5 48.9 1.0 O A:ALA245 4.6 50.7 1.0 CL A:CL521 4.6 88.8 1.0

Chlorine binding site 8 out of 8 in the Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl521 b:88.8 occ:1.00 ZN A:ZN504 2.7 66.1 1.0 O A:ALA245 3.1 50.7 1.0 CE1 A:TYR213 3.4 48.2 1.0 CZ A:TYR213 4.1 48.2 1.0 OH A:TYR213 4.1 55.1 1.0 CD1 A:TYR213 4.2 46.6 1.0 C A:ALA245 4.2 48.9 1.0 OE1 A:GLU214 4.4 60.1 1.0 OE2 A:GLU214 4.4 50.0 1.0 CL A:CL520 4.6 75.8 1.0 CA A:ALA245 4.8 47.1 1.0 CD A:GLU214 4.8 53.7 1.0 CB A:ALA245 5.0 46.7 1.0

J.Osipiuk, J.Holowicki, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Abc Transporter Substrate-Binding Protein From Sphaerobacter Thermophilus. To Be Published.