Chlorine in PDB 9ix1: Crystal Structure of the Mouse RIP3 Kinase Domain in Complexed with PP2

All present enzymatic activity of Crystal Structure of the Mouse RIP3 Kinase Domain in Complexed with PP2:
2.7.11.1;

The structure of Crystal Structure of the Mouse RIP3 Kinase Domain in Complexed with PP2, PDB code: 9ix1 was solved by H.Xie, H.X.Su, M.J.Li, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.24 / 2.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	155.897, 51.147, 106.839, 90, 132.72, 90
R / Rfree (%)	21.9 / 25.5

The binding sites of Chlorine atom in the Crystal Structure of the Mouse RIP3 Kinase Domain in Complexed with PP2 (pdb code 9ix1). 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 the Mouse RIP3 Kinase Domain in Complexed with PP2, PDB code: 9ix1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Mouse RIP3 Kinase Domain in Complexed with PP2


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 the Mouse RIP3 Kinase Domain in Complexed with PP2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:39.5 occ:1.00 CL A:PP2401 0.0 39.5 1.0 C14 A:PP2401 1.7 36.2 1.0 C13 A:PP2401 2.7 27.9 1.0 C15 A:PP2401 2.7 30.7 1.0 O A:HOH504 3.4 38.2 1.0 SD A:MET65 3.5 36.1 1.0 CD2 A:LEU93 3.5 34.7 1.0 CE A:MET65 3.7 47.4 1.0 CG2 A:THR95 3.8 23.9 1.0 CB A:LEU93 3.8 36.0 1.0 OE2 A:GLU61 3.8 34.6 1.0 C12 A:PP2401 4.0 30.7 1.0 C16 A:PP2401 4.0 27.4 1.0 CD A:LYS51 4.2 39.7 1.0 CG A:LEU93 4.2 42.3 1.0 CD2 A:LEU74 4.5 33.9 1.0 C11 A:PP2401 4.5 30.6 1.0 CD A:GLU61 4.7 47.2 1.0 CB A:LYS51 4.9 34.1 1.0 NZ A:LYS51 4.9 44.8 1.0 CD1 A:LEU93 5.0 47.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Mouse RIP3 Kinase Domain in Complexed with PP2


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 the Mouse RIP3 Kinase Domain in Complexed with PP2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:109.2 occ:1.00 CL B:PP2401 0.0 109.2 1.0 C14 B:PP2401 1.7 34.0 1.0 C13 B:PP2401 2.7 31.0 1.0 C15 B:PP2401 2.7 36.8 1.0 O B:HOH509 3.2 49.1 1.0 SD B:MET65 3.4 37.7 1.0 CD2 B:LEU93 3.5 41.4 1.0 CE B:MET65 3.5 26.8 1.0 CG2 B:THR95 3.7 29.4 1.0 CB B:LEU93 3.7 38.3 1.0 OE1 B:GLU61 3.8 44.6 1.0 C12 B:PP2401 4.0 38.8 1.0 C16 B:PP2401 4.0 31.4 1.0 CD B:LYS51 4.1 43.3 1.0 CG B:LEU93 4.2 46.6 1.0 CD2 B:LEU74 4.5 35.3 1.0 C11 B:PP2401 4.5 35.3 1.0 CD B:GLU61 4.5 56.5 1.0 CB B:LYS51 4.8 39.7 1.0 CD1 B:LEU93 4.8 47.2 1.0 CD1 B:LEU76 4.9 36.7 1.0 CG B:GLU61 4.9 55.3 1.0 CB B:THR95 5.0 33.5 1.0

H.Xie, H.X.Su, M.J.Li, Y.C.Xu. Structure-Based Design of Potent and Selective Inhibitors Targeting RIPK3 For Eliminating on-Target Toxicity in Vitro Nat Commun 2025.
ISSN: ESSN 2041-1723