Chlorine in PDB 5mk9: Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin

The structure of Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin, PDB code: 5mk9 was solved by C.Homburg, M.Bommer, S.Wuttge, C.Hobe, S.Beck, H.Dobbek, J.Deutscher, A.Licht, E.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.07 / 0.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.137, 74.895, 90.075, 90.00, 90.00, 90.00
R / Rfree (%)	10.9 / 12.2

The binding sites of Chlorine atom in the Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin (pdb code 5mk9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin, PDB code: 5mk9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:11.4 occ:1.00 HD22 A:ASN383 2.4 13.9 1.0 HA A:PHE380 2.8 7.5 1.0 O A:HOH1293 3.1 10.0 1.0 O A:HOH1146 3.1 12.5 1.0 HB3 A:ASP355 3.1 8.4 1.0 O A:HOH1493 3.2 23.5 1.0 ND2 A:ASN383 3.3 11.6 1.0 HD1 A:PHE380 3.4 7.3 1.0 HG22 A:THR379 3.5 10.0 1.0 HB2 A:PHE380 3.6 7.4 1.0 HD21 A:ASN383 3.6 13.9 1.0 O A:HOH1550 3.6 21.9 1.0 HB2 A:ASN383 3.6 8.7 1.0 CA A:PHE380 3.7 6.2 1.0 CB A:ASP355 4.0 7.0 1.0 O A:HOH1498 4.0 20.5 1.0 N A:PHE380 4.0 6.0 1.0 CG A:ASP355 4.1 8.4 1.0 CB A:PHE380 4.1 6.2 1.0 OD2 A:ASP355 4.1 9.4 1.0 O A:HOH1520 4.2 15.0 1.0 CG A:ASN383 4.2 10.4 1.0 CD1 A:PHE380 4.2 6.1 1.0 O A:HOH1312 4.3 13.8 1.0 CB A:ASN383 4.3 7.3 1.0 H A:PHE380 4.4 7.2 1.0 HB3 A:ASN383 4.4 8.7 1.0 CG2 A:THR379 4.4 8.3 1.0 C A:THR379 4.4 6.2 1.0 O A:THR379 4.4 7.0 1.0 HG21 A:THR379 4.5 10.0 1.0 HB2 A:ASP355 4.6 8.4 1.0 HA A:ASP355 4.6 7.4 1.0 HB A:THR379 4.7 8.0 1.0 OD1 A:ASP355 4.7 10.3 1.0 O A:ASP355 4.7 6.3 1.0 CG A:PHE380 4.7 5.8 1.0 CA A:ASP355 4.8 6.2 1.0 O A:HOH1508 4.9 19.5 0.5 C A:PHE380 4.9 6.1 1.0 HB3 A:PHE380 5.0 7.4 1.0 O A:PHE380 5.0 6.3 1.0

Chlorine binding site 2 out of 3 in the Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl903 b:8.8 occ:0.78 H A:ASP148 2.2 6.7 0.3 H A:ASP148 2.2 6.3 0.7 OD1 A:ASP148 2.6 12.6 0.3 HG3 A:LYS256 2.8 13.4 1.0 HB3 A:ASP148 2.9 10.8 0.3 HB2 A:ASP148 2.9 9.1 0.7 O A:HOH1150 2.9 8.9 1.0 HA A:ILE255 3.0 5.4 1.0 CL A:CL904 3.0 11.5 0.8 N A:ASP148 3.1 5.6 0.3 N A:ASP148 3.1 5.2 0.7 HB3 A:TRP147 3.1 5.8 1.0 H A:TRP147 3.1 5.4 1.0 HB A:THR146 3.2 6.9 1.0 CG A:ASP148 3.4 11.3 0.3 CB A:ASP148 3.4 9.0 0.3 CG A:ASP148 3.5 9.7 0.7 H A:LYS256 3.5 6.6 1.0 CB A:ASP148 3.5 7.5 0.7 N A:TRP147 3.6 4.5 1.0 HE2 A:LYS256 3.6 21.2 1.0 O A:THR254 3.7 4.8 1.0 CG A:LYS256 3.8 11.2 1.0 OD1 A:ASP148 3.8 11.6 0.7 OD2 A:ASP148 3.8 11.9 0.7 N A:LYS256 3.8 5.5 1.0 CA A:ASP148 3.9 6.9 0.3 CA A:ILE255 3.9 4.5 1.0 CA A:ASP148 3.9 6.2 0.7 CB A:TRP147 3.9 4.9 1.0 C A:TRP147 4.0 4.7 1.0 CA A:TRP147 4.0 4.6 1.0 CB A:THR146 4.1 5.8 1.0 C A:ILE255 4.1 4.9 1.0 HD2 A:LYS256 4.1 17.6 1.0 O A:HOH1436 4.1 34.8 1.0 HB2 A:LYS256 4.2 9.9 1.0 H A:GLY149 4.3 7.0 0.7 H A:GLY149 4.3 7.0 0.3 HG2 A:LYS256 4.3 13.4 1.0 HG1 A:THR254 4.3 6.4 1.0 C A:THR146 4.3 4.4 1.0 CD A:LYS256 4.3 14.6 1.0 HB2 A:ASP148 4.3 10.8 0.3 HB3 A:ASP148 4.4 9.1 0.7 HB2 A:TRP147 4.4 5.8 1.0 C A:THR254 4.4 4.2 1.0 CE A:LYS256 4.4 17.6 1.0 CB A:LYS256 4.4 8.2 1.0 OG1 A:THR146 4.4 6.4 1.0 HA A:ASP148 4.5 8.3 0.3 HA A:THR146 4.5 5.6 1.0 HG22 A:ILE255 4.5 5.9 1.0 HA A:ASP148 4.5 7.5 0.7 N A:ILE255 4.5 4.3 1.0 CA A:THR146 4.6 4.7 1.0 OD2 A:ASP148 4.6 14.0 0.3 HD1 A:TRP147 4.7 6.8 1.0 CA A:LYS256 4.7 6.3 1.0 O A:HOH1045 4.9 22.7 1.0 HB A:ILE255 4.9 5.7 1.0 N A:GLY149 4.9 5.9 1.0 CB A:ILE255 4.9 4.7 1.0 OD1 A:ASP261 4.9 10.4 1.0 C A:ASP148 4.9 6.3 0.3 C A:ASP148 5.0 5.7 0.7 HZ3 A:LYS256 5.0 22.9 1.0

Chlorine binding site 3 out of 3 in the Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Beta- Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl904 b:11.5 occ:0.75 H A:LYS256 2.4 6.6 1.0 HE1 A:TRP201 2.4 7.6 1.0 OD1 A:ASP148 2.9 11.6 0.7 CL A:CL903 3.0 8.8 0.8 O A:HOH1159 3.0 9.4 0.6 HB3 A:TRP147 3.1 5.8 1.0 HA A:ILE255 3.1 5.4 1.0 N A:LYS256 3.2 5.5 1.0 HB2 A:LYS256 3.2 9.9 1.0 NE1 A:TRP201 3.2 6.3 1.0 HB A:ILE255 3.3 5.7 1.0 CG A:ASP148 3.4 9.7 0.7 HD1 A:TRP147 3.4 6.8 1.0 O A:HOH1204 3.5 15.8 1.0 HG22 A:ILE255 3.5 5.9 1.0 HB3 A:ASP148 3.6 10.8 0.3 OD2 A:ASP148 3.7 11.9 0.7 HG3 A:LYS256 3.8 13.4 1.0 CA A:ILE255 3.8 4.5 1.0 H A:ASP148 3.8 6.3 0.7 H A:ASP148 3.8 6.7 0.3 HD1 A:TRP201 3.8 7.5 1.0 CB A:ILE255 3.9 4.7 1.0 CB A:LYS256 4.0 8.2 1.0 CD1 A:TRP201 4.0 6.3 1.0 CD1 A:TRP147 4.0 5.7 1.0 O A:HOH1021 4.0 21.6 1.0 C A:ILE255 4.0 4.9 1.0 CB A:TRP147 4.0 4.9 1.0 CA A:LYS256 4.1 6.3 1.0 CG2 A:ILE255 4.2 4.9 1.0 N A:ASP148 4.3 5.2 0.7 CG A:TRP147 4.3 4.6 1.0 N A:ASP148 4.3 5.6 0.3 CE2 A:TRP201 4.4 5.4 1.0 CG A:LYS256 4.4 11.2 1.0 O A:LYS256 4.4 7.7 1.0 HZ2 A:TRP201 4.4 7.0 1.0 HE22 A:GLN205 4.4 8.6 1.0 CB A:ASP148 4.5 7.5 0.7 HB2 A:TRP147 4.5 5.8 1.0 CB A:ASP148 4.5 9.0 0.3 HD2 A:LYS256 4.5 17.6 1.0 HB2 A:ASP148 4.5 9.1 0.7 O A:HOH1159 4.6 15.3 0.4 HG21 A:ILE255 4.7 5.9 1.0 C A:LYS256 4.7 6.0 1.0 HB3 A:LYS256 4.8 9.9 1.0 CZ2 A:TRP201 4.8 5.8 1.0 H A:TRP147 4.8 5.4 1.0 CA A:ASP148 4.9 6.9 0.3 CA A:ASP148 4.9 6.2 0.7 HA A:ASP148 4.9 8.3 0.3 OE1 A:GLN204 4.9 13.9 1.0 HA A:ASP148 4.9 7.5 0.7 HA A:LYS256 4.9 7.5 1.0 HG23 A:ILE255 4.9 5.9 1.0 C A:TRP147 4.9 4.7 1.0 CA A:TRP147 5.0 4.6 1.0

C.Homburg, M.Bommer, S.Wuttge, C.Hobe, S.Beck, H.Dobbek, J.Deutscher, A.Licht, E.Schneider. Inducer Exclusion in Firmicutes: Insights Into the Regulation of A Carbohydrate Atp Binding Cassette Transporter From Lactobacillus Casei BL23 By the Signal Transducing Protein P-SER46-Hpr. Mol. Microbiol. V. 105 25 2017.
ISSN: ESSN 1365-2958
PubMed: 28370477
DOI: 10.1111/MMI.13680