Chlorine in PDB 7p4m: Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form

All present enzymatic activity of Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form:
2.5.1.72;

The structure of Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form, PDB code: 7p4m was solved by A.Volbeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.48 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.442, 49.051, 60.809, 90, 106.83, 90
R / Rfree (%)	13.3 / 17.8

The structure of Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form also contains other interesting chemical elements:

Iron

(Fe)

7 atoms

The binding sites of Chlorine atom in the Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form (pdb code 7p4m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form, PDB code: 7p4m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form


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 Y107F Variant in An Empty Open Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:34.2 occ:0.55 O A:HOH651 2.3 38.4 0.5 FE3 A:SF4301 2.3 29.4 0.6 ND2 A:ASN109 3.4 38.3 1.0 CE A:MET59 3.5 26.7 1.0 CE2 A:TYR21 3.6 22.5 1.0 S1 A:SF4301 3.7 28.2 0.6 S2 A:F3S302 3.8 39.0 0.5 S2 A:SF4301 3.9 29.0 0.6 S4 A:SF4301 3.9 27.1 0.6 CD2 A:TYR21 4.0 21.7 1.0 O A:HOH618 4.0 48.1 1.0 CE1 A:HIS19 4.0 23.2 1.0 NE2 A:HIS19 4.1 22.4 1.0 S4 A:F3S302 4.2 36.3 0.5 S1 A:F3S302 4.3 38.2 0.5 CE A:MET257 4.3 33.4 1.0 CG A:ASN109 4.5 37.0 1.0 O A:HOH581 4.5 33.9 1.0 O A:HOH668 4.6 74.7 1.0 CZ A:TYR21 4.6 23.9 1.0 FE4 A:F3S302 4.6 36.0 0.5 FE4 A:SF4301 4.7 28.5 0.6 OD1 A:ASN109 4.7 38.9 1.0 FE2 A:SF4301 4.7 27.2 0.6 FE1 A:F3S302 4.8 38.1 0.5 FE1 A:SF4301 4.9 29.0 0.6 OH A:TYR21 4.9 25.1 1.0 ND1 A:HIS19 4.9 22.0 1.0 FE3 A:F3S302 5.0 36.2 0.5

Chlorine binding site 2 out of 2 in the Structure of the Quinolinate Synthase Y107F Variant in An Empty Open Form


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 Y107F Variant in An Empty Open Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:41.3 occ:1.00 O A:HOH649 3.0 59.6 1.0 O A:HOH634 3.3 54.1 1.0 N A:ASP69 3.4 30.7 1.0 NZ A:LYS70 3.4 32.7 1.0 C A:ASN67 3.5 27.6 1.0 CA A:ASN67 3.5 27.7 1.0 N A:PRO68 3.7 29.6 1.0 CD A:PRO68 3.8 31.9 1.0 CB A:ASP69 3.8 40.9 1.0 CG A:LYS70 3.9 28.4 1.0 O A:ASN67 3.9 28.5 1.0 CA A:ASP69 3.9 34.8 1.0 N A:LYS70 4.0 28.6 1.0 CB A:ASN67 4.0 27.5 1.0 C A:ASP69 4.1 32.7 1.0 C A:PRO68 4.4 32.1 1.0 CE A:LYS70 4.5 31.7 1.0 CG A:PRO68 4.5 33.6 1.0 OD1 A:ASN67 4.6 31.2 1.0 CA A:PRO68 4.6 30.8 1.0 CD A:LYS70 4.6 28.5 1.0 CG A:ASP69 4.6 47.6 1.0 CB A:LYS70 4.8 29.0 1.0 CG A:ASN67 4.8 28.2 1.0 N A:ASN67 4.8 27.0 1.0 OD2 A:ASP69 4.8 51.6 1.0 O A:LEU66 4.9 29.5 1.0 O A:ASP69 4.9 36.2 1.0 CA A:LYS70 5.0 28.2 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.