Chlorine in PDB 4rkq: Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R

The structure of Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R, PDB code: 4rkq 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.K.Burley, S.C.Almo, Enzyme Function Initiative, 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 (°)	37.244, 125.126, 116.422, 90.00, 96.68, 90.00
R / Rfree (%)	15.4 / 20.7

The structure of Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R (pdb code 4rkq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R, PDB code: 4rkq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R


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 Arthrobacter Sp. FB24, Target Nysgxrc-11027R within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:35.0 occ:1.00 OG A:SER181 3.0 35.9 0.5 OG A:SER181 3.0 26.5 0.5 CB A:SER181 3.4 33.2 0.5 CB A:SER181 3.4 32.1 0.5 NH2 A:ARG183 3.4 36.9 1.0 N A:GLU342 3.5 34.1 1.0 CB A:ALA277 3.5 30.1 1.0 NE2 A:GLN177 3.5 37.1 1.0 NE A:ARG183 3.6 27.5 1.0 CB A:THR341 3.7 32.8 1.0 CA A:THR341 3.9 27.4 1.0 CZ A:ARG183 4.0 24.1 1.0 CG2 A:THR341 4.0 30.8 1.0 O A:GLU342 4.0 51.8 1.0 CD2 A:LEU178 4.1 29.4 1.0 C A:THR341 4.2 46.1 1.0 O A:GLN177 4.2 28.8 1.0 CG A:GLN177 4.2 33.2 1.0 CD A:GLN177 4.4 34.9 1.0 CG A:GLU342 4.4 60.6 1.0 CA A:GLU342 4.5 46.9 1.0 C A:GLU342 4.7 57.0 1.0 CA A:LEU178 4.8 22.7 1.0 C A:GLN177 4.8 27.6 1.0 CD A:ARG183 4.8 33.4 1.0 CG A:ARG183 4.9 29.6 1.0 CA A:SER181 4.9 28.5 0.5 CA A:SER181 4.9 26.6 0.5 CA A:ALA277 4.9 21.5 1.0 OG1 A:THR341 5.0 26.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Laci Family Transcriptional Regulator From Arthrobacter Sp. FB24, Target Nysgxrc-11027R


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 Arthrobacter Sp. FB24, Target Nysgxrc-11027R within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:35.5 occ:1.00 OG B:SER181 2.9 43.4 1.0 NE2 B:GLN177 3.3 41.0 1.0 N B:GLU342 3.4 33.3 1.0 NH2 B:ARG183 3.4 43.1 1.0 CB B:ALA277 3.5 28.5 1.0 CB B:THR341 3.5 27.9 1.0 CB B:SER181 3.6 42.6 1.0 CA B:THR341 3.7 23.2 1.0 NE B:ARG183 3.8 31.1 1.0 CG2 B:THR341 3.9 30.7 1.0 O B:GLU342 4.0 0.8 1.0 CZ B:ARG183 4.0 31.0 1.0 C B:THR341 4.1 36.3 1.0 O B:GLN177 4.2 28.7 1.0 CG B:GLN177 4.2 35.8 1.0 CD B:GLN177 4.3 34.2 1.0 CD2 B:LEU178 4.3 30.3 1.0 CA B:GLU342 4.4 52.9 1.0 C B:GLU342 4.4 75.2 1.0 CB B:GLU342 4.7 70.6 1.0 OG1 B:THR341 4.8 23.5 1.0 C B:GLN177 4.8 27.0 1.0 CA B:LEU178 4.9 23.1 1.0 CA B:ALA277 5.0 23.8 1.0 CG B:ARG183 5.0 26.9 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.K.Burley, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of Laci Transcriptional Regulator Purr From Arthrobacter Sp, Target Nysgxrc 11027R To Be Published.