Chlorine in PDB 7alv: Crystal Structure of NLRP3 Nacht Domain in Complex with A Potent Inhibitor

The structure of Crystal Structure of NLRP3 Nacht Domain in Complex with A Potent Inhibitor, PDB code: 7alv was solved by C.Dekker, A.Hinniger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.39 / 2.84
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	96.18, 96.18, 262.54, 90, 90, 120
R / Rfree (%)	21.3 / 26.5

The binding sites of Chlorine atom in the Crystal Structure of NLRP3 Nacht Domain in Complex with A Potent Inhibitor (pdb code 7alv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of NLRP3 Nacht Domain in Complex with A Potent Inhibitor, PDB code: 7alv:

Chlorine binding site 1 out of 1 in the Crystal Structure of NLRP3 Nacht Domain in Complex with A Potent Inhibitor


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 NLRP3 Nacht Domain in Complex with A Potent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:64.8 occ:1.00 CL1 A:RM5701 0.0 64.8 1.0 C20 A:RM5701 1.8 63.3 1.0 C19 A:RM5701 2.7 62.3 1.0 C21 A:RM5701 2.7 62.6 1.0 OG1 A:THR439 3.1 58.7 1.0 CG A:MET408 3.5 55.5 1.0 CE A:MET661 3.6 63.6 1.0 CD1 A:ILE411 4.0 48.1 1.0 CE A:MET408 4.0 63.3 1.0 C18 A:RM5701 4.0 61.5 1.0 C22 A:RM5701 4.0 61.6 1.0 SD A:MET661 4.2 67.4 1.0 SD A:MET408 4.2 65.3 1.0 CG A:MET661 4.3 62.9 1.0 CB A:THR439 4.3 58.1 1.0 C17 A:RM5701 4.5 61.4 1.0 CG2 A:THR439 4.6 57.8 1.0 CB A:MET408 4.8 51.7 1.0 CE1 A:TYR632 4.8 50.5 1.0

C.Dekker, H.Mattes, M.Wright, A.Boettcher, A.Hinniger, N.Hughes, S.Kapps, J.Eder, P.Erbel, N.Stiefl, A.Mackay, C.Farady. Crystal Structure of NLRP3 Nacht Domain with An Inhibitor Defines Mechanism of Inflammasome Inhibition Journal of Molecular Biology 2021.