Chlorine in PDB 4rk1: Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose

The structure of Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose, PDB code: 4rk1 was solved by Y.Patskovsky, R.Toro, R.Bhosle, N.Al Obaidi, S.Chamala, J.D.Attonito, A.Scott Glenn, S.Chowdhury, J.Lafleur, R.D.Siedel, B.Hillerich, J.Love, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	123.371, 95.243, 123.602, 90.00, 119.47, 90.00
R / Rfree (%)	15.9 / 19.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose (pdb code 4rk1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose, PDB code: 4rk1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:28.4 occ:1.00 O A:HOH517 3.0 28.8 1.0 O A:HOH509 3.1 27.2 1.0 O A:HOH610 3.1 40.9 1.0 N B:LYS288 3.3 26.1 1.0 N A:LYS288 3.3 24.0 1.0 CA B:ILE287 3.7 29.4 1.0 CA A:ILE287 3.8 26.3 1.0 CB A:ILE287 4.0 29.8 1.0 CB B:ILE287 4.0 29.7 1.0 O A:LYS288 4.0 32.0 1.0 O B:LYS288 4.0 31.3 1.0 C B:ILE287 4.0 29.0 1.0 C A:ILE287 4.0 31.9 1.0 CB A:LYS288 4.2 36.1 1.0 CA A:LYS288 4.2 28.2 1.0 CG2 B:ILE287 4.2 44.4 1.0 CA B:LYS288 4.2 29.9 1.0 CB B:LYS288 4.3 34.1 1.0 CG2 A:ILE287 4.3 49.4 1.0 C A:LYS288 4.6 27.3 1.0 C B:LYS288 4.6 25.8 1.0 OE2 B:GLU263 4.7 37.2 1.0 OE2 A:GLU263 4.7 33.1 1.0 O A:TYR286 4.7 32.2 1.0 O B:TYR286 4.7 35.3 1.0

Chlorine binding site 2 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:48.0 occ:1.00 N A:GLU317 3.3 29.8 1.0 C A:PHE315 3.4 25.1 1.0 CA A:PHE315 3.4 29.3 1.0 N A:PRO316 3.6 27.0 1.0 CB A:PHE315 3.6 34.9 1.0 CD A:PRO316 3.7 38.4 1.0 CB A:GLU317 3.9 30.9 1.0 CA A:GLU317 3.9 29.1 1.0 O A:PHE315 3.9 29.9 1.0 N A:LYS318 4.0 29.5 1.0 O A:HOH663 4.0 49.2 1.0 C A:GLU317 4.1 34.3 1.0 CD1 A:PHE315 4.2 57.1 1.0 C A:PRO316 4.3 33.3 1.0 CG A:PHE315 4.4 47.7 1.0 CA A:PRO316 4.5 29.1 1.0 CG A:GLU317 4.5 28.7 1.0 N A:PHE315 4.8 37.9 1.0 O A:GLU317 4.9 32.6 1.0 CG A:PRO316 4.9 32.0 1.0 CA A:LYS318 5.0 27.9 1.0

Chlorine binding site 3 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:39.6 occ:1.00 O A:HOH689 2.9 45.0 1.0 O A:HOH679 3.0 47.6 1.0 O A:HOH502 3.0 51.7 1.0 N A:LYS290 3.1 23.1 1.0 CA A:PRO289 3.6 28.3 1.0 CD2 A:PHE333 3.7 32.3 1.0 CG A:LYS290 3.8 26.8 1.0 CB A:PHE333 3.8 28.9 1.0 C A:PRO289 3.9 27.7 1.0 CB A:LYS290 3.9 28.9 1.0 CG A:PHE333 3.9 32.1 1.0 CB A:PRO289 4.1 33.3 1.0 CA A:LYS290 4.1 23.1 1.0 CD A:LYS290 4.2 30.3 1.0 O A:HOH626 4.5 59.6 1.0 CE2 A:PHE333 4.6 50.4 1.0 O A:HOH643 4.6 59.8 1.0 NZ A:LYS290 4.8 44.3 1.0 CD1 A:PHE333 4.9 40.5 1.0 N A:PRO289 4.9 27.4 1.0 CA A:LYS288 4.9 28.2 1.0

Chlorine binding site 4 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:46.2 occ:1.00 O B:HOH696 2.8 49.5 1.0 OG1 B:THR83 2.9 28.5 1.0 N B:ASP282 3.2 22.9 1.0 O B:HOH604 3.2 48.0 1.0 CA B:ILE281 3.5 27.3 1.0 CB B:ILE281 3.7 26.7 1.0 CB B:THR83 3.8 27.2 1.0 OD1 B:ASP282 3.8 52.8 1.0 CG B:ASP282 3.8 79.0 1.0 C B:ILE281 3.8 25.6 1.0 CB B:ASP282 4.1 32.4 1.0 CG2 B:ILE281 4.1 27.2 1.0 CG2 B:THR83 4.1 32.7 1.0 OD2 B:ASP282 4.2 61.3 1.0 O B:PRO79 4.2 26.5 1.0 CA B:ASP282 4.2 23.8 1.0 CL B:CL403 4.3 43.5 1.0 O B:HOH533 4.4 33.6 1.0 CD1 B:ILE298 4.4 27.1 1.0 CB B:PRO79 4.5 26.8 1.0 O B:HOH565 4.5 41.9 1.0 O B:HOH695 4.6 46.2 1.0 C B:PRO79 4.6 28.9 1.0 N B:ILE281 4.8 22.6 1.0 O B:ASN280 4.8 22.8 1.0

Chlorine binding site 5 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:43.5 occ:1.00 O B:HOH604 3.0 48.0 1.0 N B:MSE283 3.1 21.4 1.0 CB B:MSE283 3.5 25.7 1.0 NZ A:LYS229 3.6 25.7 1.0 N B:ASP282 3.6 22.9 1.0 CB B:PRO79 3.7 26.8 1.0 CB B:ASP282 3.7 32.4 1.0 CA B:MSE283 3.9 23.8 1.0 O A:HOH591 3.9 42.8 1.0 CG B:PRO79 3.9 26.4 1.0 CA B:ASP282 3.9 23.8 1.0 C B:ASP282 3.9 24.4 1.0 CE A:LYS229 4.0 33.0 1.0 CB B:ILE281 4.2 26.7 1.0 CD1 B:ILE281 4.3 28.8 1.0 CL B:CL402 4.3 46.2 1.0 C B:ILE281 4.3 25.6 1.0 CG1 B:ILE281 4.4 27.0 1.0 CG B:MSE283 4.8 23.6 1.0 CG B:ASP282 4.8 79.0 1.0 CA B:ILE281 4.8 27.3 1.0 O B:HOH591 4.9 45.6 1.0

Chlorine binding site 6 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:45.6 occ:1.00 N B:GLU300 3.1 27.7 1.0 C B:PRO297 3.2 22.9 1.0 CL B:CL405 3.3 56.2 1.0 CA B:PRO297 3.4 25.6 1.0 N B:ILE298 3.5 25.3 1.0 N B:PHE299 3.5 27.1 1.0 CB B:GLU300 3.5 31.9 1.0 O B:PRO297 3.6 31.4 1.0 CB B:PRO297 3.7 34.4 1.0 CB B:PHE299 3.8 32.8 1.0 CA B:GLU300 3.9 26.7 1.0 CA B:PHE299 4.0 25.7 1.0 C B:PHE299 4.0 26.4 1.0 C B:ILE298 4.2 27.0 1.0 CA B:ILE298 4.5 27.9 1.0 OE1 B:GLU300 4.6 55.2 1.0 O B:HOH597 4.7 48.7 1.0 N B:PRO297 4.9 27.1 1.0 CG B:GLU300 4.9 49.9 1.0 CG B:PHE299 5.0 32.3 1.0

Chlorine binding site 7 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


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 Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:56.2 occ:1.00 N B:PHE299 3.2 27.1 1.0 CL B:CL404 3.3 45.6 1.0 O B:HOH696 3.5 49.5 1.0 N B:ILE298 3.5 25.3 1.0 CB B:PHE299 3.6 32.8 1.0 CB B:ILE298 3.8 23.2 1.0 O B:HOH548 4.0 35.6 1.0 CA B:ILE298 4.0 27.9 1.0 CA B:PHE299 4.1 25.7 1.0 C B:ILE298 4.1 27.0 1.0 CG1 B:ILE298 4.3 25.5 1.0 CG2 B:THR83 4.3 32.7 1.0 C B:PRO297 4.4 22.9 1.0 CD1 B:ILE298 4.6 27.1 1.0 O B:HOH658 4.7 60.6 1.0 O B:GLN296 4.7 24.2 1.0 O B:HOH695 4.8 46.2 1.0 CA B:PRO297 4.9 25.6 1.0 CG B:PHE299 5.0 32.3 1.0

Chlorine binding site 8 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:46.7 occ:1.00 N B:GLU317 3.2 27.3 1.0 C B:PHE315 3.4 27.8 1.0 CA B:PHE315 3.5 31.3 1.0 N B:PRO316 3.5 29.6 1.0 CB B:PHE315 3.7 35.6 1.0 CB B:GLU317 3.7 32.6 1.0 CD B:PRO316 3.8 36.2 1.0 CA B:GLU317 3.8 31.8 1.0 O B:PHE315 4.0 30.9 1.0 N B:LYS318 4.0 30.8 1.0 C B:GLU317 4.1 33.2 1.0 C B:PRO316 4.3 29.1 1.0 O B:HOH624 4.4 55.2 1.0 CD1 B:PHE315 4.4 51.2 1.0 CG B:GLU317 4.4 29.9 1.0 CA B:PRO316 4.4 26.1 1.0 CG B:PHE315 4.6 48.1 1.0 O B:GLU317 4.9 32.7 1.0 N B:PHE315 4.9 32.0 1.0 CB B:PRO316 4.9 29.8 1.0 CG B:PRO316 4.9 38.4 1.0

Chlorine binding site 9 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:51.0 occ:1.00 O C:HOH556 3.1 42.0 1.0 CL C:CL403 3.2 63.9 1.0 N C:LEU115 3.3 35.8 1.0 N C:TYR114 3.5 48.3 1.0 CB C:TYR114 3.8 75.5 1.0 CB C:LEU115 3.8 43.0 1.0 CG C:LEU115 3.8 51.8 1.0 CA C:TYR114 4.0 43.6 1.0 C C:TYR114 4.1 40.9 1.0 CA C:LEU115 4.2 39.2 1.0 C C:GLU113 4.2 36.8 1.0 CB C:ALA137 4.2 35.0 1.0 CA C:GLU113 4.4 58.3 1.0 CG2 C:VAL133 4.4 49.6 1.0 O C:ILE112 4.5 83.5 1.0 CD1 C:LEU115 4.5 44.6 1.0 CD2 C:TYR114 4.5 81.4 1.0 CG1 C:VAL133 4.7 43.1 1.0 CA C:VAL133 4.7 36.2 1.0 CG C:TYR114 4.7 61.2 1.0 CB C:VAL133 4.8 37.4 1.0 O C:GLU113 5.0 41.8 1.0

Chlorine binding site 10 out of 21 in the Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Laci Family Transcriptional Regulator From Enterococcus Faecium, Target Efi-512930, with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:63.9 occ:1.00 CL C:CL402 3.2 51.0 1.0 N C:SER134 3.3 37.4 1.0 CB C:ALA137 3.5 35.0 1.0 OG C:SER134 3.5 36.9 1.0 O C:ALA132 3.5 44.5 1.0 CA C:VAL133 3.9 36.2 1.0 CB C:SER134 3.9 45.2 1.0 C C:VAL133 4.1 45.6 1.0 CA C:SER134 4.2 35.4 1.0 C C:ALA132 4.5 44.6 1.0 N C:VAL133 4.6 35.3 1.0 O C:HOH556 4.9 42.0 1.0 CA C:ALA137 4.9 34.3 1.0 CB C:VAL133 4.9 37.4 1.0 CG1 C:VAL133 4.9 43.1 1.0 O C:SER134 5.0 32.2 1.0

Y.Patskovsky, R.Toro, R.Bhosle, N.Al Obaidi, S.Chamala, A.Scott Glenn, J.D.Attonito, S.Chowdhury, J.Lafleur, R.D.Siedel, B.Hillerich, J.Love, K.L.Whalen, J.A.Gerlt, S.C.Almo. Crystal Structure of Laci Transcriptional Regulator Rbsr From Enterococcus Faecium, Target Efi-512930 To Be Published.