Chlorine in PDB 4rzt: Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer

The structure of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer, PDB code: 4rzt was solved by M.A.Arbing, D.Cascio, M.R.Sawaya, S.Kosuri, G.M.Church, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.66 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.590, 74.080, 149.160, 90.00, 119.91, 90.00
R / Rfree (%)	20.5 / 24.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer (pdb code 4rzt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer, PDB code: 4rzt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.5 occ:1.00 CL1 A:40J501 0.0 0.5 1.0 CAN A:40J501 1.8 0.4 1.0 CAK A:40J501 2.8 86.5 1.0 OAJ A:40J501 2.9 74.8 1.0 O A:ASN125 3.3 78.7 1.0 OAS A:40J501 3.4 59.3 1.0 ND2 A:ASN125 3.7 68.6 1.0 C A:ASN125 3.9 72.5 1.0 CG A:PRO76 3.9 58.7 1.0 CG A:ASN125 4.0 69.5 1.0 OAF A:40J501 4.0 57.6 1.0 OD1 A:ASN125 4.0 69.3 1.0 CA A:TYR126 4.1 80.8 1.0 CAG A:40J501 4.1 83.8 1.0 N A:TYR126 4.2 78.4 1.0 CB A:PRO76 4.2 61.3 1.0 CAI A:40J501 4.3 69.5 1.0 OG A:SER69 4.3 89.3 1.0 CD A:PRO127 4.4 77.9 1.0 N A:PRO127 4.5 75.9 1.0 CB A:SER69 4.6 90.0 1.0 C A:TYR126 4.6 80.2 1.0 CAO A:40J501 4.6 56.8 1.0 CAM A:40J501 4.8 68.3 1.0 CAA A:40J501 4.8 57.0 1.0 CA A:ASN125 4.8 68.3 1.0 CG A:PRO127 4.9 78.6 1.0 N A:SER69 4.9 78.6 1.0 OG1 A:THR68 4.9 70.0 1.0 CA A:PRO76 5.0 59.1 1.0 OAR A:40J501 5.0 85.9 1.0 CAE A:40J501 5.0 59.0 1.0 CAH A:40J501 5.0 77.1 1.0 CB A:ASN125 5.0 68.1 1.0

Chlorine binding site 2 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:71.9 occ:1.00 CL2 A:40J501 0.0 71.9 1.0 CAM A:40J501 1.7 68.3 1.0 CAI A:40J501 2.7 69.5 1.0 OAL A:40J501 2.8 61.1 1.0 CAH A:40J501 3.2 77.1 1.0 CD1 A:ILE79 3.8 62.5 1.0 OAQ A:40J501 3.8 76.4 1.0 CE2 A:PHE161 3.9 73.0 1.0 CD2 A:LEU296 3.9 84.7 1.0 CD2 A:PHE161 3.9 71.0 1.0 OAJ A:40J501 3.9 74.8 1.0 CAE A:40J501 4.0 59.0 1.0 CE1 A:PHE293 4.1 67.3 1.0 OAP A:40J501 4.1 55.5 1.0 NE2 A:GLN291 4.4 67.5 1.0 CAK A:40J501 4.4 86.5 1.0 CAG A:40J501 4.5 83.8 1.0 CD1 A:PHE293 4.6 69.2 1.0 CAD A:40J501 4.7 53.5 1.0 O A:LEU148 5.0 73.0 1.0

Chlorine binding site 3 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:60.5 occ:1.00 CL3 A:40J501 0.0 60.5 1.0 CAB A:40J501 1.9 52.2 1.0 CAC A:40J501 2.8 51.3 1.0 CAA A:40J501 2.9 57.0 1.0 OAT A:40J501 2.9 52.6 1.0 CAO A:40J501 3.1 56.8 1.0 CAD A:40J501 3.2 53.5 1.0 ND2 A:ASN246 3.5 54.0 1.0 OAF A:40J501 3.5 57.6 1.0 OD2 A:ASP274 3.6 70.4 1.0 CAE A:40J501 3.9 59.0 1.0 CB A:ALA75 4.0 55.2 1.0 CE3 A:TRP220 4.1 53.3 1.0 CB A:ASN246 4.2 53.6 1.0 CD A:PRO76 4.3 57.6 1.0 CD2 A:TRP220 4.3 50.5 1.0 CG A:ASN246 4.3 52.5 1.0 OAP A:40J501 4.5 55.5 1.0 OAS A:40J501 4.5 59.3 1.0 CZ3 A:TRP220 4.5 49.2 1.0 CB A:LEU73 4.6 58.5 1.0 CG A:TRP220 4.7 47.8 1.0 N A:ALA75 4.7 54.5 1.0 CD1 A:LEU73 4.7 57.4 1.0 CG A:ASP274 4.8 72.2 1.0 CB A:TRP220 4.8 49.5 1.0 CD2 A:LEU73 4.9 51.2 1.0 CE2 A:TRP220 4.9 52.5 1.0 OE1 A:GLN248 4.9 60.2 1.0 CA A:ALA75 4.9 54.2 1.0 CG A:LEU73 5.0 54.9 1.0

Chlorine binding site 4 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:0.7 occ:1.00 CL1 B:40J501 0.0 0.7 1.0 CAN B:40J501 1.8 98.0 1.0 CAK B:40J501 2.7 90.3 1.0 OAJ B:40J501 2.7 82.7 1.0 O B:ASN125 3.3 92.2 1.0 OAS B:40J501 3.4 80.0 1.0 ND2 B:ASN125 3.6 82.7 1.0 CG B:PRO76 3.9 69.7 1.0 C B:ASN125 3.9 94.8 1.0 CAG B:40J501 3.9 87.5 1.0 CG B:ASN125 3.9 83.9 1.0 OD1 B:ASN125 4.0 81.5 1.0 OAF B:40J501 4.1 70.7 1.0 CAI B:40J501 4.1 78.8 1.0 CA B:TYR126 4.2 0.8 1.0 CB B:PRO76 4.2 67.9 1.0 N B:TYR126 4.2 98.5 1.0 OG B:SER69 4.4 92.2 1.0 CD B:PRO127 4.5 99.8 1.0 CAO B:40J501 4.5 75.3 1.0 N B:PRO127 4.6 99.2 1.0 CB B:SER69 4.7 94.8 1.0 C B:TYR126 4.7 0.2 1.0 CAH B:40J501 4.7 83.0 1.0 CAA B:40J501 4.8 74.2 1.0 CAE B:40J501 4.8 69.4 1.0 CA B:ASN125 4.8 91.9 1.0 OAR B:40J501 4.8 90.3 1.0 OG1 B:THR68 4.9 79.9 1.0 CAM B:40J501 4.9 78.4 1.0 CA B:PRO76 4.9 65.8 1.0 OAL B:40J501 4.9 71.9 1.0 N B:SER69 4.9 87.4 1.0 CB B:ASN125 4.9 87.2 1.0 CG B:PRO127 4.9 0.3 1.0

Chlorine binding site 5 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:75.5 occ:1.00 CL2 B:40J501 0.0 75.5 1.0 CAM B:40J501 1.8 78.4 1.0 CAI B:40J501 2.8 78.8 1.0 OAL B:40J501 3.0 71.9 1.0 CAH B:40J501 3.3 83.0 1.0 CE2 B:PHE161 3.7 71.6 1.0 CD2 B:PHE161 3.8 69.3 1.0 CD2 B:LEU296 3.9 68.3 1.0 CD1 B:ILE79 3.9 61.2 1.0 OAQ B:40J501 3.9 87.8 1.0 OAP B:40J501 4.0 75.0 1.0 CE1 B:PHE293 4.0 65.5 1.0 OAJ B:40J501 4.1 82.7 1.0 CAE B:40J501 4.2 69.4 1.0 NE2 B:GLN291 4.2 69.2 1.0 CD1 B:PHE293 4.6 61.9 1.0 CAG B:40J501 4.7 87.5 1.0 CAK B:40J501 4.7 90.3 1.0 CAD B:40J501 4.8 68.6 1.0

Chlorine binding site 6 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:74.2 occ:1.00 CL3 B:40J501 0.0 74.2 1.0 CAB B:40J501 1.8 71.9 1.0 CAC B:40J501 2.7 70.8 1.0 CAA B:40J501 2.8 74.2 1.0 OAT B:40J501 2.9 68.1 1.0 CAD B:40J501 3.1 68.6 1.0 CAO B:40J501 3.2 75.3 1.0 OAF B:40J501 3.3 70.7 1.0 ND2 B:ASN246 3.6 77.3 1.0 OD2 B:ASP274 3.7 84.8 1.0 CAE B:40J501 3.8 69.4 1.0 CE3 B:TRP220 4.0 83.7 1.0 CB B:ALA75 4.1 60.6 1.0 CD2 B:TRP220 4.2 83.1 1.0 CB B:ASN246 4.2 74.1 1.0 CD B:PRO76 4.3 67.2 1.0 OAP B:40J501 4.4 75.0 1.0 CG B:ASN246 4.4 76.1 1.0 CZ3 B:TRP220 4.4 80.9 1.0 OAS B:40J501 4.5 80.0 1.0 CG B:TRP220 4.6 83.1 1.0 CB B:LEU73 4.7 79.5 1.0 CD1 B:LEU73 4.7 80.0 1.0 CB B:TRP220 4.8 79.2 1.0 N B:ALA75 4.8 61.2 1.0 CE2 B:TRP220 4.8 83.5 1.0 CG B:ASP274 4.9 78.8 1.0 CD2 B:LEU73 4.9 78.5 1.0 CH2 B:TRP220 5.0 82.0 1.0

Chlorine binding site 7 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:0.1 occ:1.00 CL1 C:40J501 0.0 0.1 1.0 CAN C:40J501 1.8 96.0 1.0 CAK C:40J501 2.6 90.1 1.0 OAJ C:40J501 2.7 78.9 1.0 OAS C:40J501 3.5 70.4 1.0 O C:ASN125 3.6 64.3 1.0 ND2 C:ASN125 3.8 70.4 1.0 CG C:PRO76 3.9 72.4 1.0 CAG C:40J501 3.9 85.9 1.0 C C:ASN125 4.0 66.0 1.0 CAI C:40J501 4.2 73.1 1.0 CA C:TYR126 4.2 77.5 1.0 CG C:ASN125 4.2 69.9 1.0 OD1 C:ASN125 4.2 73.6 1.0 OAF C:40J501 4.3 63.9 1.0 CB C:PRO76 4.3 73.1 1.0 N C:TYR126 4.3 71.6 1.0 CD C:PRO127 4.4 83.4 1.0 OG C:SER69 4.4 99.9 1.0 N C:PRO127 4.5 78.9 1.0 CAO C:40J501 4.5 62.8 1.0 C C:TYR126 4.6 77.9 1.0 CB C:SER69 4.7 95.2 1.0 CG C:PRO127 4.7 85.7 1.0 CAA C:40J501 4.8 63.7 1.0 CAM C:40J501 4.8 72.0 1.0 CAH C:40J501 4.8 75.5 1.0 OAR C:40J501 4.8 93.4 1.0 OAL C:40J501 4.9 69.7 1.0

Chlorine binding site 8 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:81.4 occ:1.00 CL2 C:40J501 0.0 81.4 1.0 CAM C:40J501 1.7 72.0 1.0 CAI C:40J501 2.7 73.1 1.0 CAH C:40J501 2.8 75.5 1.0 OAL C:40J501 3.3 69.7 1.0 OAQ C:40J501 3.6 68.8 1.0 CD2 C:LEU296 3.8 82.1 1.0 OAJ C:40J501 3.8 78.9 1.0 CD1 C:ILE79 3.9 74.3 1.0 CE2 C:PHE161 4.0 81.9 1.0 CD2 C:PHE161 4.0 81.3 1.0 CAG C:40J501 4.1 85.9 1.0 CAK C:40J501 4.2 90.1 1.0 CAE C:40J501 4.3 65.1 1.0 CE1 C:PHE293 4.4 64.8 1.0 OAP C:40J501 4.5 60.0 1.0 O C:LEU148 4.6 79.3 1.0 OAR C:40J501 4.6 93.4 1.0 NE2 C:GLN291 4.7 75.4 1.0 CD1 C:PHE293 4.8 66.0 1.0

Chlorine binding site 9 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:70.3 occ:1.00 CL3 C:40J501 0.0 70.3 1.0 CAB C:40J501 1.9 60.0 1.0 CAA C:40J501 2.7 63.7 1.0 CAC C:40J501 2.9 57.4 1.0 CAO C:40J501 3.1 62.8 1.0 OAF C:40J501 3.1 63.9 1.0 CAD C:40J501 3.2 59.8 1.0 OAT C:40J501 3.2 58.0 1.0 ND2 C:ASN246 3.5 58.0 1.0 OD2 C:ASP274 3.6 65.1 1.0 CAE C:40J501 3.7 65.1 1.0 CB C:ALA75 3.9 64.6 1.0 CE3 C:TRP220 4.1 66.8 1.0 CB C:ASN246 4.2 58.9 1.0 CD C:PRO76 4.2 67.7 1.0 CG C:ASN246 4.3 59.5 1.0 CD2 C:TRP220 4.4 64.2 1.0 OAS C:40J501 4.5 70.4 1.0 OAP C:40J501 4.5 60.0 1.0 N C:ALA75 4.6 67.6 1.0 CZ3 C:TRP220 4.6 63.6 1.0 CB C:LEU73 4.6 67.2 1.0 CG C:TRP220 4.7 63.5 1.0 CG C:ASP274 4.7 64.5 1.0 CD1 C:LEU73 4.8 68.7 1.0 CB C:TRP220 4.9 64.3 1.0 CA C:ALA75 4.9 66.5 1.0 OE1 C:GLN248 4.9 65.5 1.0 CD2 C:LEU73 4.9 58.0 1.0 OAL C:40J501 5.0 69.7 1.0 CE2 C:TRP220 5.0 64.0 1.0

Chlorine binding site 10 out of 12 in the Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Lac Repressor Engineered to Bind Sucralose, Sucralose-Bound Tetramer within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl501 b:0.1 occ:1.00 CL1 D:40J501 0.0 0.1 1.0 CAN D:40J501 1.8 99.5 1.0 OAJ D:40J501 2.7 86.3 1.0 CAK D:40J501 2.7 93.0 1.0 OAS D:40J501 3.1 81.2 1.0 CG D:PRO76 3.5 71.3 1.0 O D:ASN125 3.6 92.8 1.0 ND2 D:ASN125 3.7 92.1 1.0 CAG D:40J501 3.8 92.7 1.0 OAF D:40J501 3.8 74.5 1.0 CB D:PRO76 3.9 69.0 1.0 OD1 D:ASN125 4.0 97.5 1.0 CG D:ASN125 4.1 94.4 1.0 CAI D:40J501 4.1 85.2 1.0 C D:ASN125 4.2 97.6 1.0 CAO D:40J501 4.2 79.2 1.0 OG D:SER69 4.3 94.2 1.0 CA D:TYR126 4.5 0.4 1.0 CAH D:40J501 4.6 89.2 1.0 CA D:PRO76 4.6 68.0 1.0 CAA D:40J501 4.6 77.7 1.0 N D:TYR126 4.6 98.8 1.0 CB D:SER69 4.7 95.0 1.0 CAE D:40J501 4.7 75.8 1.0 CD D:PRO76 4.7 70.3 1.0 CD D:PRO127 4.7 0.5 1.0 OAL D:40J501 4.9 80.5 1.0 OAR D:40J501 4.9 97.8 1.0 OG1 D:THR68 4.9 82.2 1.0 CAM D:40J501 5.0 86.6 1.0 N D:PRO127 5.0 0.4 1.0

N.D.Taylor, A.S.Garruss, R.Moretti, S.Chan, M.A.Arbing, D.Cascio, J.K.Rogers, F.J.Isaacs, S.Kosuri, D.Baker, S.Fields, G.M.Church, S.Raman. Engineering An Allosteric Transcription Factor to Respond to New Ligands. Nat.Methods V. 13 177 2016.
ISSN: ISSN 1548-7091
PubMed: 26689263
DOI: 10.1038/NMETH.3696