Chlorine in PDB 7p4p: Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate

All present enzymatic activity of Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate:
2.5.1.72;

The structure of Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate, PDB code: 7p4p was solved by A.Volbeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.23 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.76, 49.2, 69.68, 90, 108.08, 90
R / Rfree (%)	17.1 / 20.2

The structure of Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Magnesium	(Mg)	1 atom

The binding sites of Chlorine atom in the Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate (pdb code 7p4p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate, PDB code: 7p4p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:35.0 occ:0.50 O A:HOH555 2.1 37.5 0.5 O A:HOH488 2.8 56.6 1.0 N A:ASP243 3.0 36.7 1.0 CB A:ASP243 3.3 47.5 1.0 C A:PHE241 3.4 34.8 1.0 CA A:PHE241 3.4 30.8 1.0 CA A:ASP243 3.6 39.4 1.0 N A:PRO242 3.6 38.0 1.0 CB A:PHE241 3.8 29.3 1.0 O A:PHE241 3.8 32.3 1.0 CG A:ASP243 3.9 54.5 1.0 CD A:PRO242 4.0 36.3 1.0 C A:ASP243 4.0 36.8 1.0 OD2 A:ASP243 4.0 64.9 1.0 O A:HOH562 4.0 44.3 1.0 N A:ARG244 4.1 29.9 1.0 O A:HOH431 4.1 43.0 1.0 C A:PRO242 4.1 38.1 1.0 CG A:ARG244 4.2 28.4 1.0 O A:HOH685 4.3 54.3 1.0 CD1 A:PHE241 4.3 30.3 1.0 NE A:ARG244 4.3 26.2 1.0 CA A:PRO242 4.4 37.7 1.0 CG A:PHE241 4.5 29.4 1.0 CD A:ARG244 4.6 31.1 1.0 CG A:PRO242 4.6 42.1 1.0 N A:PHE241 4.8 32.7 1.0 O A:ASP243 4.8 32.4 1.0 OD1 A:ASP243 4.9 53.9 1.0 O A:LYS240 4.9 35.9 1.0

Chlorine binding site 2 out of 3 in the Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:46.2 occ:1.00 N A:ASN165 3.1 25.3 1.0 CG A:PRO163 3.7 30.3 1.0 C A:ASN165 3.8 31.0 1.0 N A:GLU164 3.8 26.6 1.0 CA A:ASN165 3.9 30.6 1.0 CB A:PRO163 3.9 26.8 1.0 O A:ASN165 4.1 31.1 1.0 N A:GLY166 4.1 26.9 1.0 C A:GLU164 4.2 32.3 1.0 CA A:GLU164 4.3 28.7 1.0 CB A:ASN165 4.3 33.7 1.0 CB A:GLU164 4.3 35.0 1.0 C A:PRO163 4.4 26.0 1.0 O A:HOH426 4.5 48.7 1.0 CA A:PRO163 4.8 23.8 1.0 CD A:ARG86 4.9 54.8 1.0 CA A:GLY166 4.9 27.8 1.0 O A:HOH682 4.9 53.2 1.0

Chlorine binding site 3 out of 3 in the Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Quinolinate Synthase A84L Variant Complexed with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:38.4 occ:0.50 O A:HOH613 2.2 35.2 0.5 O A:HOH608 2.9 37.0 1.0 N A:ASP135 3.0 39.5 1.0 CA A:LEU134 3.7 34.2 1.0 CB A:ASP135 3.7 52.8 1.0 CD2 A:LEU134 3.8 31.6 1.0 C A:LEU134 3.9 35.6 1.0 CA A:ASP135 4.0 45.5 1.0 CB A:LEU134 4.1 36.0 1.0 O A:LYS133 4.6 40.9 1.0 CG A:LEU134 4.6 33.7 1.0 N A:LEU134 4.9 31.9 1.0 N A:SER136 4.9 39.9 1.0

H.Basbous, A.Volbeda, P.Amara, R.Rohac, L.Martin, S.Ollagnier De Choudens, J.C.Fontecilla-Camps. Essential Transient Extension of the Active Site Cavity During Quinolinic Acid Synthesis By Nada To Be Published.