Fluorine in PDB 7mon: Structure of Human RIPK3-Mlkl Complex

All present enzymatic activity of Structure of Human RIPK3-Mlkl Complex:
2.7.11.1;

The structure of Structure of Human RIPK3-Mlkl Complex, PDB code: 7mon was solved by Y.Meng, K.A.Davies, P.E.Czabotar, J.M.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.42 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.495, 82.839, 104.842, 90, 90, 90
R / Rfree (%)	20.9 / 26

The binding sites of Fluorine atom in the Structure of Human RIPK3-Mlkl Complex (pdb code 7mon). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Human RIPK3-Mlkl Complex, PDB code: 7mon:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of Human RIPK3-Mlkl Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human RIPK3-Mlkl Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:76.4 occ:0.85 F1 A:ZL1501 0.0 76.4 0.8 C1O A:ZL1501 1.4 81.8 0.8 C1P A:ZL1501 2.4 77.9 0.8 C1N A:ZL1501 2.4 80.5 0.8 CA A:ASP369 3.3 71.0 1.0 C A:ASP369 3.3 66.5 1.0 C1Q A:ZL1501 3.7 80.2 0.8 C1M A:ZL1501 3.7 77.9 0.8 O A:ASP369 3.7 70.1 1.0 N A:ARG370 3.7 61.8 1.0 CB A:ASP369 3.9 80.6 1.0 OD1 A:ASP369 4.0 84.4 1.0 C1K A:ZL1501 4.2 81.4 0.8 N A:ASP369 4.4 62.0 1.0 CG A:ASP369 4.5 86.2 1.0 CA A:ARG370 4.5 62.1 1.0

Fluorine binding site 2 out of 4 in the Structure of Human RIPK3-Mlkl Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human RIPK3-Mlkl Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:86.2 occ:0.85 F A:ZL1501 0.0 86.2 0.8 C1E A:ZL1501 1.4 59.1 0.8 C14 A:ZL1501 2.4 52.5 0.8 C1F A:ZL1501 2.4 66.7 0.8 O1 A:ZL1501 2.8 51.8 0.8 CD2 A:LEU338 3.3 51.4 1.0 C15 A:ZL1501 3.4 38.7 0.8 C1D A:ZL1501 3.6 37.3 0.8 C13 A:ZL1501 3.7 53.7 0.8 C1 A:ZL1501 3.7 65.7 0.8 CG2 A:THR290 3.8 40.5 1.0 CD1 A:LEU338 4.1 40.9 1.0 CG A:LEU338 4.1 37.4 1.0 C12 A:ZL1501 4.2 59.3 0.8 C16 A:ZL1501 4.5 37.0 0.8 O A:ZL1501 4.8 74.2 0.8 C18 A:ZL1501 4.8 35.2 0.8 N A:ZL1501 4.9 68.1 0.8 O A:SER335 4.9 33.4 1.0

Fluorine binding site 3 out of 4 in the Structure of Human RIPK3-Mlkl Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human RIPK3-Mlkl Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:71.3 occ:1.00 F1 B:ZL1401 0.0 71.3 1.0 C1O B:ZL1401 1.4 73.2 1.0 C1P B:ZL1401 2.4 67.4 1.0 C1N B:ZL1401 2.4 69.5 1.0 CA B:ILE57 3.5 72.5 1.0 CG1 B:ILE57 3.6 72.4 1.0 C1Q B:ZL1401 3.7 61.7 1.0 C1M B:ZL1401 3.7 61.7 1.0 CG2 B:ILE57 3.7 69.6 1.0 OE2 B:GLU60 3.8 85.3 1.0 OG B:SER54 3.8 76.8 1.0 CB B:ILE57 3.8 65.8 1.0 CG1 B:VAL52 3.8 49.4 1.0 CB B:GLU60 3.9 71.5 1.0 CB B:VAL52 3.9 49.3 1.0 CD B:GLU60 3.9 86.9 1.0 CB B:SER54 4.0 72.8 1.0 C1K B:ZL1401 4.2 57.2 1.0 O B:ILE57 4.2 74.4 1.0 OE1 B:GLU60 4.2 92.4 1.0 CG2 B:VAL52 4.3 51.0 1.0 C B:ILE57 4.4 72.6 1.0 N B:ILE57 4.4 77.2 1.0 CG B:GLU60 4.5 77.6 1.0 O B:ALA56 4.7 78.5 1.0 C B:ALA56 4.9 80.4 1.0 CD1 B:ILE57 4.9 75.1 1.0 CD1 B:LEU92 5.0 50.0 1.0

Fluorine binding site 4 out of 4 in the Structure of Human RIPK3-Mlkl Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human RIPK3-Mlkl Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:34.1 occ:1.00 F B:ZL1401 0.0 34.1 1.0 C1E B:ZL1401 1.4 29.7 1.0 C1F B:ZL1401 2.4 30.7 1.0 C14 B:ZL1401 2.4 33.0 1.0 O1 B:ZL1401 2.8 34.2 1.0 CB B:ALA48 3.3 24.0 1.0 C15 B:ZL1401 3.4 29.7 1.0 C16 B:ZL1401 3.4 26.2 1.0 CB B:LYS50 3.6 34.9 1.0 C1 B:ZL1401 3.7 32.1 1.0 C13 B:ZL1401 3.7 25.2 1.0 C B:ALA48 3.7 34.2 1.0 O B:ALA48 3.8 33.7 1.0 OG1 B:THR94 3.8 25.6 1.0 N B:LYS50 4.0 35.8 1.0 N B:VAL49 4.0 30.6 1.0 CG1 B:VAL35 4.1 31.6 1.0 CA B:ALA48 4.1 29.9 1.0 C B:VAL49 4.1 38.2 1.0 C12 B:ZL1401 4.2 34.3 1.0 CA B:LYS50 4.3 38.0 1.0 CG2 B:VAL35 4.3 41.3 1.0 CA B:VAL49 4.5 28.3 1.0 C1D B:ZL1401 4.6 31.1 1.0 O B:VAL49 4.6 34.7 1.0 CG2 B:THR94 4.6 28.7 1.0 C17 B:ZL1401 4.6 28.9 1.0 CG B:LYS50 4.8 42.9 1.0 CB B:THR94 4.8 29.3 1.0 CB B:VAL35 4.8 36.7 1.0 N B:ZL1401 4.9 38.1 1.0 O B:LEU92 4.9 37.2 1.0 CD B:LYS50 4.9 39.1 1.0

Y.Meng, K.A.Davies, C.Fitzgibbon, S.N.Young, S.E.Garnish, C.R.Horne, C.Luo, J.Garnier, L.Liang, A.D.Cowan, A.L.Samson, G.Lessene, J.J.Sandow, P.E.Czabotar, J.M.Murphy. Human RIPK3 Maintains Mlkl in An Inactive Conformation Prior to Cell Death By Necroptosis Nat Commun 2021.
ISSN: ESSN 2041-1723