Chlorine in PDB 1k6j: Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)

The structure of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form), PDB code: 1k6j was solved by D.K.Stammers, J.Ren, K.Leslie, C.E.Nichols, H.K.Lamb, S.Cocklin, A.Dodds, A.R.Hawkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	148.800, 64.300, 110.200, 90.00, 121.80, 90.00
R / Rfree (%)	16.5 / 20.2

The binding sites of Chlorine atom in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) (pdb code 1k6j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form), PDB code: 1k6j:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl752 b:46.1 occ:1.00 N A:ASN253 3.2 15.9 1.0 O A:HOH1284 3.3 45.2 1.0 O A:HOH1109 3.6 43.1 1.0 ND2 A:ASN253 3.6 18.5 1.0 CA A:VAL252 3.7 18.3 1.0 CB A:VAL252 3.7 21.7 1.0 CG A:ASN253 3.8 21.1 1.0 C A:VAL252 3.9 14.1 1.0 CB A:ASN253 4.0 16.3 1.0 CA A:ASN253 4.2 16.4 1.0 CG1 A:VAL252 4.2 23.8 1.0 O A:HOH1419 4.2 52.4 1.0 OD1 A:ASN253 4.4 22.5 1.0 O A:HOH1157 4.5 32.4 1.0 O A:ASN253 4.9 22.7 1.0 O A:HOH1036 4.9 34.3 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl753 b:27.8 occ:1.00 OG1 A:THR14 2.9 29.9 1.0 O A:HOH1232 3.2 34.5 1.0 N A:THR14 3.4 23.5 1.0 N A:HIS37 3.6 23.5 1.0 CA A:ASN12 3.6 17.6 1.0 CA A:VAL36 3.6 20.1 1.0 C A:ASN12 3.6 17.0 1.0 N A:ALA13 3.7 18.6 1.0 CB A:THR14 3.7 26.0 1.0 CG2 A:THR14 3.7 22.5 1.0 CD2 A:HIS37 3.9 33.3 1.0 CB A:VAL36 4.1 26.2 1.0 CA A:THR14 4.1 24.9 1.0 C A:VAL36 4.1 21.4 1.0 O A:ASN12 4.2 24.4 1.0 O A:HOH1533 4.2 45.1 1.0 CG1 A:VAL36 4.2 29.9 1.0 O A:GLN35 4.4 20.1 1.0 C A:ALA13 4.4 20.9 1.0 CA A:ALA13 4.5 20.0 1.0 CB A:ASN12 4.5 22.4 1.0 OD1 A:ASN12 4.5 33.1 1.0 CG A:HIS37 4.6 36.5 1.0 N A:ASN12 4.6 19.1 1.0 CB A:HIS37 4.6 24.5 1.0 CA A:HIS37 4.7 29.8 1.0 N A:GLY15 4.7 24.1 1.0 N A:VAL36 4.8 18.8 1.0 C A:THR14 4.8 29.4 1.0 NE2 A:HIS37 4.9 29.8 1.0 CB A:ALA13 5.0 20.9 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl755 b:29.0 occ:1.00 O A:HOH1072 3.1 32.5 1.0 NE2 B:GLN106 3.4 23.7 1.0 NE A:ARG239 3.4 25.5 1.0 CB A:ARG239 3.7 17.6 1.0 O B:HOH1472 3.7 49.7 1.0 CE B:LYS6 3.8 21.7 1.0 CD A:ARG239 3.9 23.5 1.0 CG2 A:THR174 3.9 19.3 1.0 OE1 B:GLN106 3.9 27.1 1.0 CD B:GLN106 4.1 25.2 1.0 NZ B:LYS6 4.2 23.3 1.0 O B:HOH1632 4.2 56.5 1.0 O A:HOH1030 4.3 39.4 1.0 CG A:ARG239 4.4 17.6 1.0 CZ A:ARG239 4.5 24.8 1.0 NH2 A:ARG239 4.6 18.6 1.0 O B:HOH1598 4.7 49.3 1.0 CD B:LYS6 4.9 25.8 1.0 CA A:ARG239 4.9 19.2 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl750 b:34.0 occ:1.00 O B:HOH900 3.1 22.6 1.0 N B:TYR242 3.1 21.3 1.0 CA B:THR241 3.8 19.4 1.0 CB B:TYR242 3.9 19.2 1.0 C B:THR241 4.0 20.7 1.0 CG2 B:THR241 4.0 32.6 1.0 CA B:TYR242 4.1 14.4 1.0 CG2 B:VAL226 4.2 21.7 1.0 CG1 B:VAL226 4.2 20.1 1.0 O B:TYR242 4.3 23.8 1.0 O B:VAL240 4.3 23.6 1.0 CB B:THR241 4.4 25.2 1.0 CA B:VAL226 4.4 17.5 1.0 CB B:CYS229 4.5 11.6 1.0 CB B:VAL226 4.5 19.1 1.0 O B:HOH1647 4.6 49.7 1.0 O B:HOH1025 4.6 34.8 1.0 O B:HOH905 4.7 30.6 1.0 C B:TYR242 4.7 19.5 1.0 O B:VAL226 4.7 15.8 1.0 OG1 B:THR241 4.8 39.5 1.0 N B:THR241 4.9 19.0 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl751 b:39.4 occ:1.00 OE1 B:GLN166 3.1 24.1 1.0 O B:HOH1341 3.3 41.3 1.0 NZ B:LYS251 3.5 18.1 1.0 O B:HOH1505 3.7 42.6 1.0 CB B:PRO161 3.7 21.9 1.0 CD B:LYS251 4.0 24.1 1.0 CD B:GLN166 4.0 21.5 1.0 NE2 B:GLN166 4.2 13.6 1.0 CE B:LYS251 4.3 16.9 1.0 CA B:PRO161 4.4 24.2 1.0 OE2 B:GLU168 4.5 33.6 1.0 CG B:PRO161 4.6 19.9 1.0 CD B:GLU168 4.6 33.4 1.0 CD B:PRO161 4.7 20.7 1.0 N B:PRO161 4.7 27.1 1.0 O B:HOH1488 4.7 37.9 1.0 CG B:GLU168 4.8 25.8 1.0 O B:HOH968 4.9 21.7 1.0 O B:SER159 5.0 19.2 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl754 b:25.5 occ:1.00 OG1 B:THR14 3.1 22.7 1.0 O B:HOH998 3.3 31.6 1.0 N B:THR14 3.5 20.7 1.0 N B:HIS37 3.5 30.0 1.0 CA B:ASN12 3.7 20.1 1.0 CA B:VAL36 3.7 25.4 1.0 N B:ALA13 3.7 15.3 1.0 C B:ASN12 3.7 19.8 1.0 CD2 B:HIS37 3.7 26.4 1.0 CB B:THR14 3.9 22.8 1.0 CG2 B:THR14 3.9 24.8 1.0 CB B:VAL36 4.1 22.8 1.0 C B:VAL36 4.1 26.3 1.0 CG1 B:VAL36 4.2 37.9 1.0 CA B:THR14 4.3 25.2 1.0 O B:ASN12 4.3 19.0 1.0 CG B:HIS37 4.4 23.0 1.0 CB B:HIS37 4.5 24.2 1.0 C B:ALA13 4.5 21.3 1.0 CA B:ALA13 4.5 17.6 1.0 O B:GLN35 4.5 18.5 1.0 OD1 B:ASN12 4.5 29.8 1.0 CA B:HIS37 4.6 28.4 1.0 CB B:ASN12 4.6 24.0 1.0 N B:ASN12 4.7 22.7 1.0 NE2 B:HIS37 4.8 30.3 1.0 N B:VAL36 4.9 22.9 1.0 N B:GLY15 4.9 23.0 1.0 CB B:ALA13 4.9 16.9 1.0 C B:THR14 5.0 23.7 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Nmra, A Negative Transcriptional Regulator (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl756 b:77.4 occ:1.00 NE B:ARG234 2.9 53.4 1.0 O B:HOH1500 3.1 40.5 1.0 CB B:ALA230 3.5 17.2 1.0 NH2 B:ARG234 3.5 41.5 1.0 CZ B:ARG234 3.6 32.2 1.0 CD B:ARG234 3.8 27.4 1.0 O B:HOH1499 3.9 39.4 1.0 CG B:ARG234 4.1 27.9 1.0 O B:ALA230 4.1 20.0 1.0 CA B:ALA230 4.4 19.0 1.0 C B:ALA230 4.4 20.5 1.0 O B:HOH1648 4.8 56.9 1.0 O B:HOH878 4.8 22.5 1.0 NH1 B:ARG234 4.9 36.1 1.0

D.K.Stammers, J.Ren, K.Leslie, C.E.Nichols, H.K.Lamb, S.Cocklin, A.Dodds, A.R.Hawkins. The Structure of the Negative Transcriptional Regulator Nmra Reveals A Structural Superfamily Which Includes the Short-Chain Dehydrogenase/Reductases. Embo J. V. 20 6619 2001.
ISSN: ISSN 0261-4189
PubMed: 11726498
DOI: 10.1093/EMBOJ/20.23.6619