Chlorine in PDB 5mtt: Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Maltotetraose

The structure of Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Maltotetraose, PDB code: 5mtt 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)	41.54 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.494, 83.079, 85.036, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 13.7

The binding sites of Chlorine atom in the Maltodextrin Binding Protein MALE1 From L. Casei BL23 Bound to Maltotetraose (pdb code 5mtt). 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 Maltotetraose, PDB code: 5mtt:
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 Maltotetraose


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 Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl420 b:13.8 occ:0.68 HD22 A:ASN283 2.4 18.1 1.0 H A:SER280 2.6 17.6 1.0 HB2 A:ASN283 2.9 15.7 1.0 HA A:ALA279 2.9 17.6 1.0 O A:HOH540 3.0 26.3 1.0 ND2 A:ASN283 3.3 15.1 1.0 HG A:SER280 3.3 28.6 1.0 N A:SER280 3.4 14.7 1.0 HB3 A:ASN283 3.5 15.7 1.0 CB A:ASN283 3.5 13.1 1.0 CA A:ALA279 3.8 14.7 1.0 HD21 A:ASN283 3.9 18.1 1.0 O A:SER280 3.9 14.3 1.0 CG A:ASN283 3.9 13.0 1.0 HB1 A:ALA279 3.9 19.9 1.0 OG A:SER280 4.1 23.8 1.0 C A:ALA279 4.1 14.1 1.0 CB A:ALA279 4.3 16.5 1.0 CA A:SER280 4.4 16.6 1.0 HE1 A:HIS278 4.5 37.5 0.4 HB2 A:ALA279 4.5 19.9 1.0 C A:SER280 4.5 15.0 1.0 O A:HIS278 4.6 15.9 0.6 O A:HIS278 4.7 15.8 0.4 O A:HOH693 4.8 18.4 1.0 CB A:SER280 4.8 21.5 1.0 H A:ASN283 4.8 16.6 1.0 CE1 A:HIS278 4.9 31.2 0.4 CA A:ASN283 4.9 12.6 1.0 N A:ALA279 4.9 14.2 1.0 ND1 A:HIS278 4.9 30.6 0.4 H A:GLN284 4.9 15.7 1.0

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


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 Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl421 b:37.1 occ:0.72 H A:ALA108 2.3 15.8 1.0 HA A:VAL107 2.9 16.6 1.0 O A:HOH939 3.0 33.3 1.0 N A:ALA108 3.1 13.1 1.0 HB A:VAL107 3.3 17.1 1.0 HB2 A:ALA108 3.4 20.0 1.0 HG12 A:VAL107 3.5 20.9 1.0 CA A:VAL107 3.6 13.9 1.0 HB3 A:ALA108 3.7 20.0 1.0 CB A:VAL107 3.8 14.3 1.0 HE2 A:LYS314 3.8 40.8 1.0 C A:VAL107 3.9 12.7 1.0 CB A:ALA108 3.9 16.7 1.0 O A:HOH769 4.0 17.9 1.0 CA A:ALA108 4.1 14.4 1.0 CG1 A:VAL107 4.1 17.4 1.0 HG2 A:LYS314 4.3 27.7 1.0 HA A:ALA108 4.6 17.3 1.0 HG11 A:VAL107 4.6 20.9 1.0 CE A:LYS314 4.8 34.0 1.0 HG13 A:VAL107 4.8 20.9 1.0 HB1 A:ALA108 4.8 20.0 1.0 N A:VAL107 4.9 13.2 1.0 H A:VAL109 4.9 15.5 1.0 O A:ASN106 5.0 14.8 1.0

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


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 Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl422 b:17.8 occ:0.63 H A:LYS256 2.2 15.7 0.6 H A:LYS256 2.3 16.2 0.4 HE1 A:TRP201 2.4 15.3 1.0 O A:HOH532 2.9 26.6 1.0 O A:HOH731 3.0 13.0 1.0 HA A:ILE255 3.0 13.6 1.0 N A:LYS256 3.1 13.1 0.6 N A:LYS256 3.1 13.5 0.4 HB3 A:TRP147 3.1 15.2 1.0 HB2 A:LYS256 3.2 22.3 0.4 NE1 A:TRP201 3.2 12.8 1.0 HB2 A:LYS256 3.2 23.5 0.6 O A:HOH773 3.2 37.9 1.0 OD1 A:ASP148 3.3 25.6 1.0 HB A:ILE255 3.3 13.7 1.0 OD2 A:ASP148 3.4 29.2 1.0 CG A:ASP148 3.5 23.6 1.0 HD1 A:TRP147 3.5 15.8 1.0 HG22 A:ILE255 3.5 13.6 1.0 HD1 A:TRP201 3.7 14.7 1.0 O A:HOH506 3.7 30.2 1.0 CA A:ILE255 3.7 11.3 1.0 HG3 A:LYS256 3.7 29.7 0.4 CD1 A:TRP201 3.8 12.3 1.0 CB A:LYS256 3.9 18.6 0.4 CB A:ILE255 3.9 11.4 1.0 C A:ILE255 3.9 12.5 1.0 H A:ASP148 3.9 16.2 1.0 CB A:LYS256 4.0 19.6 0.6 HG3 A:LYS256 4.0 33.0 0.6 CA A:LYS256 4.0 15.1 0.4 CA A:LYS256 4.0 14.7 0.6 CD1 A:TRP147 4.0 13.1 1.0 CB A:TRP147 4.1 12.7 1.0 O A:LYS256 4.1 17.0 0.6 HD2 A:LYS256 4.2 35.6 0.4 CG2 A:ILE255 4.2 11.3 1.0 O A:LYS256 4.2 18.2 0.4 CG A:LYS256 4.3 24.8 0.4 HE22 A:GLN205 4.3 16.9 1.0 CE2 A:TRP201 4.3 11.7 1.0 CG A:TRP147 4.3 12.0 1.0 N A:ASP148 4.4 13.5 1.0 HZ2 A:TRP201 4.5 14.9 1.0 HB2 A:TRP147 4.5 15.2 1.0 CG A:LYS256 4.5 27.5 0.6 C A:LYS256 4.5 14.8 0.6 C A:LYS256 4.6 15.8 0.4 CB A:ASP148 4.6 18.0 1.0 HB2 A:ASP148 4.6 21.6 1.0 HZ2 A:LYS256 4.6 37.1 0.4 HG21 A:ILE255 4.7 13.6 1.0 HZ3 A:LYS256 4.7 37.1 0.4 HB3 A:LYS256 4.7 22.3 0.4 CD A:LYS256 4.7 29.7 0.4 HB3 A:LYS256 4.8 23.5 0.6 HD2 A:LYS256 4.8 39.3 0.6 HA A:LYS256 4.8 18.1 0.4 HA A:LYS256 4.8 17.6 0.6 CZ2 A:TRP201 4.9 12.4 1.0 HG23 A:ILE255 4.9 13.6 1.0 H A:TRP147 4.9 14.3 1.0 O A:HOH627 4.9 17.5 1.0 CA A:ASP148 5.0 15.2 1.0 NE2 A:GLN205 5.0 14.1 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