Chlorine in PDB 7xgn: Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na)

The structure of Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na), PDB code: 7xgn was solved by Z.Zhou, X.Yang, T.Huang, X.Wang, R.Liang, J.Zheng, S.Dai, S.Lin, Z.Deng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.46 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.208, 150.973, 55.09, 90, 90, 90
R / Rfree (%)	19.2 / 23.6

The binding sites of Chlorine atom in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na) (pdb code 7xgn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na), PDB code: 7xgn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:51.9 occ:1.00 NH1 A:ARG166 3.0 48.0 1.0 NH2 A:ARG167 3.2 40.5 1.0 CD A:ARG166 4.0 27.2 1.0 CZ A:ARG166 4.1 32.5 1.0 CZ A:ARG167 4.3 43.1 1.0 NH1 A:ARG167 4.5 39.9 1.0 NE A:ARG166 4.5 32.3 1.0 CB A:ARG166 5.0 26.9 1.0

Chlorine binding site 2 out of 5 in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:65.3 occ:1.00 NH1 A:ARG202 3.1 52.1 1.0 CD A:ARG202 3.5 46.8 1.0 N A:ASP229 3.7 43.6 1.0 CB A:ASP229 3.8 31.2 1.0 CZ A:ARG202 4.1 49.6 1.0 NE A:ARG202 4.2 43.9 1.0 CB A:CYS210 4.4 32.2 1.0 CA A:ASP229 4.4 40.0 1.0 CG A:ARG202 4.5 45.5 1.0 C A:ALA228 4.7 41.1 1.0 CA A:ALA228 4.7 40.6 1.0 O A:GLY227 4.7 49.9 1.0 SG A:CYS210 4.8 43.6 1.0

Chlorine binding site 3 out of 5 in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:45.6 occ:1.00 OE2 B:GLU116 3.3 61.8 1.0 CE A:LYS184 3.7 38.6 1.0 CD B:GLU116 3.7 55.1 1.0 NZ A:LYS184 3.7 45.2 1.0 NH1 A:ARG151 3.8 34.9 1.0 CG B:GLU116 3.8 40.7 1.0 NE B:ARG117 4.1 33.1 1.0 CB B:ARG117 4.2 25.8 1.0 NH2 B:ARG117 4.6 26.8 1.0 OE1 B:GLU116 4.6 55.8 1.0 CG B:ARG117 4.6 25.9 1.0 NH2 A:ARG151 4.6 33.4 1.0 CZ A:ARG151 4.7 30.8 1.0 CD A:LYS184 4.8 41.2 1.0 CZ B:ARG117 4.8 32.0 1.0 CA B:ARG117 4.9 31.2 1.0 N B:ARG117 4.9 29.9 1.0 CD B:ARG117 4.9 28.0 1.0 O1 A:NIO404 5.0 39.1 1.0

Chlorine binding site 4 out of 5 in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:60.0 occ:1.00 NH2 B:ARG151 2.9 38.4 1.0 CE B:LYS184 3.2 46.2 1.0 CD A:GLU116 3.7 62.5 1.0 OE2 A:GLU116 3.7 57.1 1.0 CB A:ARG117 3.8 26.0 1.0 NE A:ARG117 3.9 37.5 1.0 OE1 A:GLU116 3.9 56.9 1.0 CG A:GLU116 4.2 44.9 1.0 CZ B:ARG151 4.2 36.1 1.0 NZ B:LYS184 4.2 51.2 1.0 O B:HOH520 4.3 44.4 1.0 CG A:ARG117 4.3 30.3 1.0 CD B:LYS184 4.3 49.0 1.0 N A:ARG117 4.4 29.0 1.0 CA A:ARG117 4.4 25.2 1.0 O A:HOH509 4.4 29.3 1.0 NH2 A:ARG117 4.5 43.5 1.0 CD A:ARG117 4.7 31.2 1.0 CZ A:ARG117 4.7 40.7 1.0 CB A:GLU116 4.7 35.9 1.0 NH1 B:ARG151 4.8 33.8 1.0 O2 B:NIO405 4.8 39.9 1.0

Chlorine binding site 5 out of 5 in the Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Quinolinate Phosphoribosyl Transferase (Qaprtase) From Streptomyces Pyridomyceticus Nrrl B-2517 in Complex with Nicotinic Acid (Na) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:54.5 occ:1.00 NH2 B:ARG167 3.0 35.1 1.0 NE B:ARG166 3.3 36.2 1.0 CD B:ARG166 3.9 26.6 1.0 CZ B:ARG167 4.1 36.6 1.0 CZ B:ARG166 4.2 32.6 1.0 NH2 B:ARG166 4.2 29.5 1.0 NH1 B:ARG167 4.3 39.0 1.0 CB B:ARG166 4.6 25.2 1.0 CG B:ARG166 4.9 24.9 1.0

Z.Zhou, X.Yang, T.Huang, J.Zheng, Z.Deng, S.Dai, S.Lin. Bifunctional Nadc Homologue Pyrz Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis. Acs Chem.Biol. V. 18 141 2023.
ISSN: ESSN 1554-8937
PubMed: 36517246
DOI: 10.1021/ACSCHEMBIO.2C00773