Chlorine in PDB 4c7r: Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids

The structure of Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids, PDB code: 4c7r was solved by C.Koshy, O.Yildiz, C.Ziegler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.421 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	115.560, 129.500, 167.950, 90.00, 90.00, 90.00
R / Rfree (%)	21.18 / 26.59

The binding sites of Chlorine atom in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids (pdb code 4c7r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids, PDB code: 4c7r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1587 b:0.6 occ:1.00 N A:GLY179 3.2 73.2 1.0 OD1 A:ASN177 3.6 77.8 1.0 CA A:GLY179 3.6 76.9 1.0 N B:ALA355 3.6 73.7 1.0 CA B:SER354 3.9 66.3 1.0 CB B:SER354 4.0 74.6 1.0 OG B:SER354 4.1 84.7 1.0 C B:SER354 4.3 73.8 1.0 C A:VAL178 4.4 74.5 1.0 N A:VAL178 4.4 65.6 1.0 CB A:VAL178 4.5 62.9 1.0 CA B:ALA355 4.6 72.0 1.0 CA A:VAL178 4.7 66.7 1.0 CG A:ASN177 4.7 68.6 1.0 OD1 A:ASN339 4.7 74.7 1.0 C A:GLY179 4.9 80.9 1.0

Chlorine binding site 2 out of 5 in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1553 b:0.5 occ:1.00 NH2 B:ARG210 3.1 0.5 1.0 NH1 B:ARG210 3.4 0.7 1.0 CZ B:ARG210 3.7 0.5 1.0 N B:ARG126 3.7 0.0 1.0 CD1 B:ILE549 3.7 0.8 1.0 CG2 B:ILE549 3.9 0.2 1.0 CG2 B:ILE130 4.0 0.3 1.0 CA B:ILE125 4.0 93.6 1.0 CB B:ILE549 4.2 0.3 1.0 CG B:ARG126 4.3 0.6 1.0 C B:ILE125 4.3 0.8 1.0 N B:ASP131 4.4 0.5 1.0 CB B:ARG126 4.5 0.8 1.0 CG2 B:ILE125 4.5 78.5 1.0 CA B:ILE130 4.5 0.8 1.0 CG1 B:ILE549 4.5 1.0 1.0 O B:THR124 4.6 76.3 1.0 CA B:ARG126 4.7 0.6 1.0 CB B:ILE130 4.7 0.7 1.0 CB B:ILE125 4.7 84.9 1.0 N B:ILE125 4.9 91.6 1.0 NE B:ARG210 5.0 0.6 1.0 C B:ILE130 5.0 0.5 1.0

Chlorine binding site 3 out of 5 in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1562 b:74.8 occ:1.00 NH1 C:ARG210 3.1 54.9 1.0 NH2 C:ARG210 3.3 64.3 1.0 CD1 C:ILE549 3.6 0.9 1.0 CZ C:ARG210 3.6 66.3 1.0 N C:ARG126 3.6 68.0 1.0 N C:ASP131 3.7 60.7 1.0 CA C:ILE130 3.8 71.1 1.0 CG C:ARG126 3.8 69.5 1.0 CB C:ARG126 4.0 74.6 1.0 CG2 C:ILE130 4.1 58.7 1.0 CG2 C:ILE549 4.1 0.7 1.0 CA C:ILE125 4.2 55.4 1.0 C C:ILE125 4.3 59.0 1.0 CB C:ILE549 4.3 1.0 1.0 C C:ILE130 4.3 63.5 1.0 CA C:ARG126 4.4 71.1 1.0 CB C:ILE130 4.4 69.0 1.0 CG1 C:ILE549 4.5 1.0 1.0 CG2 C:ILE125 4.6 52.8 1.0 CD C:ARG126 4.6 63.8 1.0 CA C:ASP131 4.7 57.0 1.0 N C:ILE130 4.8 75.4 1.0 CG1 C:ILE130 4.8 74.6 1.0 O C:THR124 4.8 71.0 1.0 NE C:ARG210 4.9 76.4 1.0 O C:ARG129 4.9 66.2 1.0 CB C:ILE125 4.9 60.9 1.0 O C:ARG126 5.0 73.6 1.0

Chlorine binding site 4 out of 5 in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1563 b:65.0 occ:1.00 O B:HOH2008 3.3 54.1 1.0 N C:ALA355 3.3 55.3 1.0 N B:GLY179 3.6 64.1 1.0 CA C:SER354 3.8 54.1 1.0 OD1 B:ASN177 3.9 71.7 1.0 CB C:SER354 3.9 62.7 1.0 C C:SER354 4.1 56.9 1.0 CA B:GLY179 4.1 56.5 1.0 OG C:SER354 4.1 65.4 1.0 CA C:ALA355 4.3 52.2 1.0 N B:VAL178 4.4 38.3 1.0 CG B:ASN177 4.6 63.5 1.0 CB B:VAL178 4.6 56.0 1.0 C B:VAL178 4.7 67.3 1.0 O C:HOH2010 4.8 87.2 1.0 CA B:VAL178 4.8 54.9 1.0 N C:ASP356 4.9 63.5 1.0 ND2 B:ASN177 4.9 66.8 1.0

Chlorine binding site 5 out of 5 in the Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Inward Facing Conformation of the Trimeric Betaine Transporter Betp in Complex with Lipids within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1564 b:85.6 occ:1.00 N C:GLY179 3.2 47.9 1.0 O A:HOH2011 3.5 65.8 1.0 N A:ALA355 3.5 72.6 1.0 OD1 C:ASN177 3.7 75.7 1.0 CA C:GLY179 3.7 57.1 1.0 CA A:SER354 3.8 67.8 1.0 CB A:SER354 4.0 67.6 1.0 N C:VAL178 4.1 71.1 1.0 C A:SER354 4.2 69.4 1.0 OG A:SER354 4.2 75.5 1.0 C C:VAL178 4.2 55.3 1.0 CB C:VAL178 4.3 65.0 1.0 CA C:VAL178 4.4 69.3 1.0 CG C:ASN177 4.4 63.8 1.0 CA A:ALA355 4.5 71.0 1.0 ND2 C:ASN177 4.8 57.0 1.0 O A:HOH2002 4.8 79.3 1.0 C C:ASN177 4.9 70.2 1.0 C C:GLY179 4.9 59.8 1.0 OD1 C:ASN339 4.9 69.4 1.0

C.Koshy, E.S.Schweikhard, R.M.Gaertner, C.Perez, O.Yildiz, C.Ziegler. Structural Evidence For Functional Lipid Interactions in the Betaine Transporter Betp Embo J. V. 32 3096 2013.
ISSN: ISSN 0261-4189
PubMed: 24141878
DOI: 10.1038/EMBOJ.2013.226