Chlorine in PDB 4b1r: Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline

The structure of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline, PDB code: 4b1r was solved by S.Eltschkner, G.J.Palm, J.Schneider, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.66 / 1.95
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.360, 68.360, 179.610, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26

The binding sites of Chlorine atom in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline (pdb code 4b1r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline, PDB code: 4b1r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:62.4 occ:0.75 CL7 A:ITC1209 0.0 62.4 0.8 C7 A:ITC1209 1.8 66.3 0.8 C8 A:ITC1209 2.8 66.7 0.8 C6A A:ITC1209 2.8 59.2 0.8 C6' A:ITC1209 3.3 49.8 0.8 C6 A:ITC1209 3.4 54.9 0.8 NE2 A:HIS139 3.5 36.2 1.0 OG A:SER135 3.5 38.8 0.5 C5A A:ITC1209 3.6 49.7 0.8 CB A:SER135 3.7 38.6 0.5 CB A:SER135 3.8 39.3 0.5 CA A:SER135 3.8 37.7 0.5 CA A:SER135 3.8 38.0 0.5 CB A:SER138 3.8 35.9 1.0 CD2 A:HIS139 3.8 34.8 1.0 C6B A:ITC1209 4.1 62.6 0.8 C9 A:ITC1209 4.1 68.3 0.8 OG A:SER138 4.1 39.8 1.0 C5B A:ITC1209 4.3 46.6 0.8 CE1 A:HIS139 4.3 35.9 1.0 O A:SER135 4.4 36.3 1.0 C10 A:ITC1209 4.6 66.1 0.8 C A:SER135 4.6 36.3 1.0 O6 A:ITC1209 4.7 53.5 0.8 N A:SER135 4.8 39.0 1.0 CG A:HIS139 4.9 34.6 1.0 C5 A:ITC1209 4.9 46.4 0.8 C12 A:ITC1209 5.0 53.6 0.8

Chlorine binding site 2 out of 6 in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1210 b:65.8 occ:1.00 ND2 A:ASN5 3.2 58.7 1.0 N A:GLU7 3.4 46.2 1.0 CB A:ASN5 3.7 54.0 1.0 N A:ARG6 3.8 46.0 1.0 CB A:GLU7 3.8 53.3 1.0 CG A:ASN5 3.9 56.4 1.0 CB A:ARG6 4.1 48.9 1.0 CA A:GLU7 4.2 48.6 1.0 CA A:ARG6 4.3 45.2 1.0 O A:HOH2006 4.3 45.1 1.0 C A:ARG6 4.3 44.1 1.0 C A:ASN5 4.4 46.6 1.0 CA A:ASN5 4.6 50.0 1.0 O A:HOH2002 4.7 55.8 1.0 OE1 A:GLU7 5.0 69.4 1.0

Chlorine binding site 3 out of 6 in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:60.8 occ:1.00 CA A:SER2 3.6 62.3 1.0 N A:ARG3 3.7 61.0 1.0 CB A:SER2 3.9 64.0 1.0 C A:SER2 4.0 58.8 1.0 CG A:ARG3 4.4 66.1 1.0 CA A:ARG3 4.8 58.1 1.0 N A:SER2 4.8 62.0 1.0 CB A:ARG3 4.9 61.9 1.0

Chlorine binding site 4 out of 6 in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1212 b:84.0 occ:1.00 O A:HOH2015 3.2 66.3 1.0 O A:HOH2013 3.3 47.1 1.0 N A:LYS48 3.3 47.2 1.0 CB A:ASN47 3.6 48.7 1.0 CA A:ASN47 3.8 46.8 1.0 CB A:LYS48 3.9 48.1 1.0 O A:HOH2026 4.0 61.0 1.0 C A:ASN47 4.1 44.9 1.0 CA A:LYS48 4.2 45.6 1.0 OG1 A:THR27 4.5 45.1 1.0 CG2 A:THR27 4.5 45.6 1.0 CG A:ASN47 5.0 49.2 1.0

Chlorine binding site 5 out of 6 in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1213 b:79.8 occ:1.00 O A:HOH2003 2.9 78.5 1.0 NE A:ARG3 4.0 66.9 1.0 NH2 A:ARG3 4.3 66.7 1.0 CZ A:ARG3 4.7 65.2 1.0 CD A:ARG3 4.9 65.9 1.0

Chlorine binding site 6 out of 6 in the Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7- Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1214 b:47.4 occ:1.00 N A:LEU4 3.1 47.8 1.0 NH1 A:ARG3 3.2 62.2 1.0 CB A:LEU4 3.9 42.7 1.0 CA A:LEU4 3.9 44.7 1.0 CA A:ARG3 4.0 58.1 1.0 C A:ARG3 4.0 51.6 1.0 CD A:ARG3 4.2 65.9 1.0 C A:LEU4 4.2 46.2 1.0 CG A:LEU4 4.3 42.1 1.0 O A:SER2 4.3 58.6 1.0 CZ A:ARG3 4.4 65.2 1.0 O A:HOH2004 4.4 69.2 1.0 N A:ASN5 4.5 48.7 1.0 NE A:ARG3 4.8 66.9 1.0 CB A:ARG3 4.8 61.9 1.0 O A:LEU4 4.9 47.1 1.0 CD1 A:LEU4 5.0 40.2 1.0 N A:ARG3 5.0 61.0 1.0

S.Eltschkner, G.J.Palm, J.Schneider, W.Hinrichs. Tetracycline Repressor Class D Mutant H100A in Complex with Iso-7-Chlortetracycline To Be Published.