Chlorine in PDB 4kr5: Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation

The structure of Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation, PDB code: 4kr5 was solved by A.Vujicic Zagar, A.Guskov, G.K.Schuurman-Wolters, D.J.Slotboom, B.Poolman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.691, 89.123, 59.477, 90.00, 95.58, 90.00
R / Rfree (%)	14.3 / 18.6

The structure of Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation (pdb code 4kr5). 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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation, PDB code: 4kr5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation


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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:16.6 occ:1.00 CL B:CL504 2.9 25.0 1.0 O A:HOH628 3.2 13.7 1.0 NE A:ARG333 3.2 9.7 1.0 O A:HOH609 3.2 10.0 1.0 NH2 A:ARG333 3.3 12.1 1.0 CZ A:ARG333 3.7 11.3 1.0 CE1 A:PHE308 3.9 8.6 1.0 O A:HOH634 3.9 19.5 1.0 CG2 A:VAL312 4.1 8.8 1.0 CG1 B:VAL312 4.2 10.1 1.0 CG A:ARG333 4.2 11.4 1.0 CD A:ARG333 4.2 11.0 1.0 CZ A:PHE308 4.5 9.1 1.0 CG2 B:VAL312 4.6 10.4 1.0 O A:HOH610 4.6 14.5 1.0 CB B:VAL312 4.7 10.0 1.0 CE2 B:PHE308 4.8 12.7 1.0 O A:HOH617 4.8 11.5 1.0 O B:HOH674 4.9 16.9 1.0 CG1 A:VAL312 4.9 8.3 1.0 CD1 A:PHE308 4.9 8.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation


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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:17.0 occ:1.00 O B:HOH923 2.9 23.1 1.0 O A:HOH603 3.2 14.5 1.0 N B:GLN309 3.2 8.9 1.0 O B:HOH632 3.3 15.8 1.0 N B:PHE308 3.5 9.5 1.0 O B:HOH758 3.5 28.7 1.0 O A:HOH892 3.5 28.2 1.0 CB A:PHE308 3.8 9.4 1.0 CB B:PHE308 3.8 8.8 1.0 CB B:GLN309 3.9 9.7 1.0 CA B:PHE308 3.9 8.5 1.0 C B:PHE308 4.1 9.4 1.0 O B:HOH602 4.1 18.2 1.0 CA B:GLN309 4.1 9.7 1.0 CG A:PHE308 4.2 7.9 1.0 C B:GLY307 4.3 10.6 1.0 O B:HOH801 4.4 28.5 1.0 OD1 A:ASP267 4.5 10.8 1.0 CA B:GLY307 4.6 9.6 1.0 CD2 A:PHE308 4.6 9.3 1.0 O A:HOH616 4.7 11.7 1.0 CD1 A:PHE308 4.8 8.2 1.0 MG A:MG501 4.8 16.0 1.0 CG B:PHE308 4.9 10.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation


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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:24.0 occ:1.00 NE2 B:GLN297 3.2 17.6 1.0 ND2 B:ASN465 3.6 16.1 1.0 O B:HOH710 3.6 34.3 1.0 CE B:MET254 4.0 49.1 0.5 CD B:GLN297 4.1 18.7 1.0 OE1 B:GLN297 4.2 21.0 1.0 SD B:MET254 4.5 49.3 0.5 O B:HOH924 4.7 37.9 1.0 O B:HOH645 4.7 28.0 1.0 CG B:ASN465 4.7 16.0 1.0 CB B:ASN461 4.8 22.2 1.0 OD1 B:ASN296 4.9 15.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation


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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:25.0 occ:1.00 CL A:CL502 2.9 16.6 1.0 NE B:ARG333 3.0 13.9 1.0 O A:HOH634 3.2 19.5 1.0 NH2 B:ARG333 3.2 13.6 1.0 O B:HOH674 3.4 16.9 1.0 CZ B:ARG333 3.5 13.3 1.0 CE2 B:PHE308 3.8 12.7 1.0 O A:HOH628 3.9 13.7 1.0 CZ B:PHE308 3.9 14.9 1.0 CG B:ARG333 4.0 12.2 1.0 CD B:ARG333 4.1 14.1 1.0 CG1 A:VAL312 4.2 8.3 1.0 CG2 B:VAL312 4.3 10.4 1.0 CG2 A:VAL312 4.5 8.8 1.0 O B:HOH648 4.6 15.2 1.0 O A:HOH609 4.6 10.0 1.0 CB A:VAL312 4.6 7.0 1.0 O A:HOH653 4.7 14.8 1.0 NH1 B:ARG333 4.8 12.0 1.0 CE B:MET327 4.9 13.9 1.0 CG1 B:VAL312 5.0 10.1 1.0

F.Fulyani, G.K.Schuurman-Wolters, A.V.Zagar, A.Guskov, D.J.Slotboom, B.Poolman. Functional Diversity of Tandem Substrate-Binding Domains in Abc Transporters From Pathogenic Bacteria. Structure V. 21 1879 2013.
ISSN: ISSN 0969-2126
PubMed: 23994008
DOI: 10.1016/J.STR.2013.07.020