Chlorine in PDB 6p1b: Transcription Antitermination Factor Q21

The structure of Transcription Antitermination Factor Q21, PDB code: 6p1b was solved by Z.Yin, R.H.Ebright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.45 / 1.94
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.233, 78.905, 68.497, 90.00, 98.68, 90.00
R / Rfree (%)	18.5 / 22.6

The binding sites of Chlorine atom in the Transcription Antitermination Factor Q21 (pdb code 6p1b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Transcription Antitermination Factor Q21, PDB code: 6p1b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:46.3 occ:1.00 HG1 A:THR125 2.2 28.7 1.0 H A:SER122 2.4 31.4 1.0 HG A:SER122 2.9 35.6 1.0 HA A:PRO121 3.0 31.3 1.0 OG1 A:THR125 3.0 24.0 1.0 N A:SER122 3.3 26.2 1.0 HE1 A:MET110 3.3 59.8 1.0 HB3 A:SER122 3.4 35.6 1.0 HB A:THR125 3.5 26.2 1.0 O A:HOH371 3.6 0.1 1.0 HE3 A:MET110 3.6 59.8 1.0 OG A:SER122 3.6 29.7 1.0 HG21 A:THR125 3.6 25.8 1.0 CB A:THR125 3.7 21.9 1.0 CA A:PRO121 3.8 26.1 1.0 CE A:MET110 3.9 49.8 1.0 CB A:SER122 3.9 29.7 1.0 O A:HOH369 4.0 32.8 1.0 C A:PRO121 4.0 24.7 1.0 HE21 A:GLN119 4.2 74.1 1.0 CA A:SER122 4.2 28.1 1.0 CG2 A:THR125 4.2 21.5 1.0 HB3 A:PRO121 4.3 34.1 1.0 CB A:PRO121 4.4 28.4 1.0 HB2 A:PRO121 4.4 34.1 1.0 SD A:MET110 4.5 47.0 1.0 HE22 A:GLN119 4.6 74.1 1.0 NE2 A:GLN119 4.6 61.8 1.0 O A:LYS120 4.6 23.3 1.0 O A:HOH323 4.7 27.2 1.0 HE2 A:MET110 4.7 59.8 1.0 H A:THR125 4.8 25.4 1.0 HG22 A:THR125 4.8 25.8 1.0 HB2 A:SER122 4.8 35.6 1.0 HA A:SER122 4.8 33.7 1.0 HG23 A:THR125 4.9 25.8 1.0 N A:PRO121 5.0 26.1 1.0

Chlorine binding site 2 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:38.5 occ:1.00 H A:THR54 2.2 31.9 1.0 HE A:ARG55 2.3 27.6 1.0 HA A:MET53 2.7 53.5 1.0 HH21 A:ARG55 2.8 36.9 1.0 H A:ARG55 2.9 44.0 1.0 N A:THR54 3.0 26.6 1.0 NE A:ARG55 3.1 23.0 1.0 HE3 A:MET53 3.3 55.1 1.0 HB2 A:ARG55 3.5 25.9 1.0 HG3 A:ARG55 3.5 27.9 1.0 CA A:MET53 3.5 44.6 1.0 NH2 A:ARG55 3.5 30.7 1.0 N A:ARG55 3.6 36.6 1.0 HD2 A:TYR28 3.6 26.6 1.0 OG1 A:THR54 3.7 26.3 1.0 C A:MET53 3.8 42.8 1.0 CZ A:ARG55 3.8 25.0 1.0 HB3 A:MET53 3.8 55.3 1.0 CA A:THR54 4.0 26.6 1.0 O A:VAL52 4.1 74.2 1.0 CE A:MET53 4.1 45.9 1.0 CG A:ARG55 4.1 23.3 1.0 CB A:ARG55 4.1 21.6 1.0 HE2 A:TYR28 4.1 31.6 1.0 CD A:ARG55 4.2 21.0 1.0 CB A:MET53 4.2 46.1 1.0 O A:HOH373 4.2 34.0 1.0 CD2 A:TYR28 4.2 22.2 1.0 C A:THR54 4.2 28.1 1.0 SD A:MET53 4.3 41.3 1.0 HH22 A:ARG55 4.3 36.9 1.0 HE1 A:MET53 4.4 55.1 1.0 HG1 A:THR54 4.4 31.5 1.0 CA A:ARG55 4.4 28.8 1.0 CE2 A:TYR28 4.5 26.3 1.0 CB A:THR54 4.5 27.7 1.0 HD3 A:ARG55 4.6 25.2 1.0 N A:MET53 4.7 45.6 1.0 HB1 A:ALA25 4.8 15.4 1.0 C A:VAL52 4.8 74.4 1.0 HA A:THR54 4.9 31.9 1.0 CG A:MET53 4.9 39.6 1.0 O A:ARG55 4.9 27.6 1.0 HE2 A:MET53 4.9 55.1 1.0 HD2 A:ARG55 4.9 25.2 1.0 HA A:ALA25 4.9 14.8 1.0 HB3 A:TYR28 4.9 21.7 1.0 HG23 A:THR54 5.0 48.8 1.0 O A:MET53 5.0 43.5 1.0 HB3 A:ARG55 5.0 25.9 1.0 HG2 A:ARG55 5.0 27.9 1.0

Chlorine binding site 3 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:57.2 occ:1.00 HZ1 A:LYS109 2.4 42.3 1.0 HE2 A:LYS109 3.0 42.3 1.0 NZ A:LYS109 3.0 35.3 1.0 HZ3 A:LYS109 3.1 42.3 1.0 CE A:LYS109 3.5 35.2 1.0 HZ2 A:LYS109 3.8 42.3 1.0 HE3 A:LYS109 3.9 42.3 1.0 HD3 A:LYS109 4.7 46.3 1.0 CD A:LYS109 4.8 38.5 1.0

Chlorine binding site 4 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:44.1 occ:1.00 HE1 A:TRP15 2.2 20.3 1.0 HE1 A:TRP19 2.2 21.2 1.0 NE1 A:TRP15 3.0 16.9 1.0 NE1 A:TRP19 3.0 17.7 1.0 HZ2 A:TRP19 3.1 25.3 1.0 HZ2 A:TRP15 3.2 18.2 1.0 CE2 A:TRP15 3.7 16.9 1.0 CE2 A:TRP19 3.7 17.2 1.0 CZ2 A:TRP19 3.7 21.1 1.0 CZ2 A:TRP15 3.7 15.2 1.0 CD1 A:TRP15 4.1 19.1 1.0 CD1 A:TRP19 4.2 16.7 1.0 HD1 A:TRP15 4.3 23.0 1.0 HD1 A:TRP19 4.4 20.0 1.0 O A:HOH385 4.7 35.2 1.0 HD2 A:PHE149 4.9 25.2 1.0 CD2 A:PHE149 4.9 21.1 1.0 HE2 A:PHE149 5.0 24.5 1.0 CD2 A:TRP15 5.0 17.4 1.0 CE2 A:PHE149 5.0 20.5 1.0

Chlorine binding site 5 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:34.6 occ:1.00 HG1 B:THR125 2.2 26.4 0.9 H B:SER122 2.2 22.1 1.0 HG23 B:THR125 2.5 26.5 0.1 HG21 B:THR125 2.7 26.5 0.1 HA B:PRO121 2.9 24.9 1.0 OG1 B:THR125 2.9 22.0 0.9 CG2 B:THR125 3.0 22.1 0.1 N B:SER122 3.1 18.4 1.0 OG1 B:THR125 3.2 20.9 0.1 HB B:THR125 3.3 24.4 0.9 HB3 B:SER122 3.4 25.5 1.0 OG B:SER122 3.5 21.8 1.0 HG21 B:THR125 3.6 25.1 0.9 HE1 B:MET110 3.6 47.3 1.0 CB B:THR125 3.6 20.4 0.9 CB B:THR125 3.6 20.4 0.1 CA B:PRO121 3.7 20.8 1.0 O B:HOH359 3.7 29.8 1.0 HE2 B:MET110 3.7 47.3 1.0 HG B:SER122 3.8 26.1 1.0 CB B:SER122 3.8 21.3 1.0 HG22 B:THR125 3.9 26.5 0.1 C B:PRO121 3.9 23.1 1.0 HB B:THR125 3.9 24.4 0.1 HG1 B:THR125 3.9 25.0 0.1 CE B:MET110 4.0 39.4 1.0 CA B:SER122 4.0 19.4 1.0 HB3 B:PRO121 4.1 18.9 1.0 CG2 B:THR125 4.1 20.9 0.9 SD B:MET110 4.1 46.9 1.0 HB2 B:PRO121 4.2 18.9 1.0 CB B:PRO121 4.2 15.8 1.0 HE21 B:GLN119 4.5 51.0 1.0 HG22 B:THR125 4.6 25.1 0.9 H B:THR125 4.6 23.5 0.9 H B:THR125 4.6 23.4 0.1 HA B:SER122 4.7 23.3 1.0 O B:LYS120 4.7 18.7 1.0 HB2 B:SER122 4.7 25.5 1.0 HG23 B:THR125 4.8 25.1 0.9 N B:PRO121 4.9 23.9 1.0 HE3 B:MET110 4.9 47.3 1.0 O B:SER122 4.9 18.4 1.0 CA B:THR125 4.9 19.0 0.9 C B:SER122 5.0 19.1 1.0

Chlorine binding site 6 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:43.4 occ:1.00 HH12 B:ARG127 2.3 37.7 1.0 HH22 B:ARG127 3.1 30.3 1.0 HB2 B:HIS95 3.1 27.2 1.0 O B:HOH342 3.1 38.8 1.0 NH1 B:ARG127 3.1 31.4 1.0 HH11 B:ARG127 3.7 37.7 1.0 NH2 B:ARG127 3.7 25.2 1.0 CZ B:ARG127 3.9 30.6 1.0 CB B:HIS95 4.0 22.7 1.0 HB3 B:HIS95 4.0 27.2 1.0 H B:HIS95 4.3 25.6 1.0 HH21 B:ARG127 4.5 30.3 1.0 N B:HIS95 4.8 21.4 1.0 CG B:HIS95 4.8 24.6 1.0 CA B:HIS95 4.9 19.8 1.0 HA B:HIS95 5.0 23.8 1.0

Chlorine binding site 7 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:35.7 occ:1.00 H B:GLU11 2.3 18.0 1.0 HB2 B:GLU11 2.9 25.9 1.0 HB3 B:GLU11 3.0 25.9 1.0 O2 B:EDO207 3.0 23.2 1.0 HB B:THR9 3.1 19.4 1.0 N B:GLU11 3.1 15.0 1.0 HB3 B:LYS10 3.2 27.1 1.0 O1 B:EDO207 3.2 54.5 1.0 CB B:GLU11 3.3 21.6 1.0 H B:LYS10 3.5 21.1 1.0 HO2 B:EDO207 3.5 27.9 1.0 HO1 B:EDO207 3.7 65.4 1.0 HG1 B:THR9 3.8 17.4 1.0 N B:LYS10 3.8 17.6 1.0 CA B:GLU11 3.8 13.8 1.0 CB B:THR9 3.9 16.2 1.0 CB B:LYS10 4.0 22.6 1.0 OG1 B:THR9 4.1 14.6 1.0 C B:LYS10 4.1 19.2 1.0 C1 B:EDO207 4.1 59.7 1.0 C2 B:EDO207 4.1 46.7 1.0 CA B:LYS10 4.2 18.4 1.0 HA B:GLU11 4.3 16.6 1.0 H11 B:EDO207 4.4 71.7 1.0 HB2 B:LYS10 4.4 27.1 1.0 C B:THR9 4.5 14.6 1.0 H B:GLN12 4.6 14.1 1.0 O B:HOH318 4.6 25.3 1.0 H22 B:EDO207 4.7 56.0 1.0 CG B:GLU11 4.7 36.6 1.0 HD2 B:LYS10 4.7 46.0 1.0 HG21 B:THR9 4.8 21.3 1.0 CA B:THR9 4.8 15.8 1.0 OE2 B:GLU11 4.9 37.9 1.0 CG2 B:THR9 4.9 17.8 1.0 H21 B:EDO207 4.9 56.0 1.0 HA B:THR9 4.9 18.8 1.0 CD B:GLU11 5.0 39.1 1.0

Chlorine binding site 8 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:51.5 occ:1.00 HE1 B:TRP15 2.1 12.8 1.0 HE1 B:TRP19 2.2 18.9 1.0 NE1 B:TRP15 2.9 10.7 1.0 HZ2 B:TRP19 2.9 16.0 1.0 NE1 B:TRP19 3.0 15.7 1.0 HZ2 B:TRP15 3.4 13.9 1.0 CZ2 B:TRP19 3.6 13.3 1.0 CE2 B:TRP19 3.6 13.2 1.0 CE2 B:TRP15 3.7 10.3 1.0 CD1 B:TRP15 3.9 10.4 1.0 CZ2 B:TRP15 3.9 11.6 1.0 HD1 B:TRP15 4.0 12.5 1.0 O B:HOH365 4.1 24.1 1.0 O B:HOH370 4.2 48.0 1.0 CD1 B:TRP19 4.2 10.9 1.0 HD1 B:TRP19 4.5 13.1 1.0 HD2 B:PHE149 4.8 20.9 1.0 HE2 B:PHE149 4.8 19.1 1.0 CE2 B:PHE149 4.8 15.9 1.0 CD2 B:PHE149 4.9 17.4 1.0 CH2 B:TRP19 4.9 16.5 1.0 CD2 B:TRP19 4.9 10.5 1.0 H21 B:EDO208 5.0 0.2 1.0 CD2 B:TRP15 5.0 10.3 1.0

Chlorine binding site 9 out of 9 in the Transcription Antitermination Factor Q21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Transcription Antitermination Factor Q21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:50.6 occ:1.00 HG B:LEU123 3.1 24.1 1.0 HG2 B:ARG127 3.3 37.8 1.0 HB2 B:ARG127 3.6 28.7 1.0 HD21 B:LEU123 3.6 25.9 1.0 CG B:LEU123 3.9 20.2 1.0 HD23 B:LEU123 3.9 25.9 1.0 HB3 B:ARG127 4.0 28.7 1.0 HH11 B:ARG127 4.0 37.7 1.0 ND1 B:HIS95 4.0 17.4 1.0 CD2 B:LEU123 4.0 21.6 1.0 CB B:ARG127 4.1 23.9 1.0 CG B:ARG127 4.1 31.5 1.0 HA B:ALA124 4.1 23.9 1.0 HE1 B:HIS95 4.2 21.7 1.0 HD11 B:LEU123 4.3 22.8 1.0 NH1 B:ARG127 4.5 31.4 1.0 CE1 B:HIS95 4.5 18.1 1.0 CD1 B:LEU123 4.6 19.1 1.0 HH12 B:ARG127 4.7 37.7 1.0 HD3 B:ARG127 4.7 42.0 1.0 O B:LEU123 4.7 18.0 1.0 HG3 B:ARG127 4.8 37.8 1.0 HD12 B:LEU123 4.8 22.8 1.0 HB3 B:LEU123 4.9 25.3 1.0 C B:LEU123 4.9 19.5 1.0 HD22 B:LEU123 5.0 25.9 1.0 CA B:ALA124 5.0 20.0 1.0

Z.Yin, J.T.Kaelber, R.H.Ebright. Structural Basis of Q-Dependent Antitermination. Proc.Natl.Acad.Sci.Usa V. 116 18384 2019.
ISSN: ESSN 1091-6490
PubMed: 31455742
DOI: 10.1073/PNAS.1909801116