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

Enzymatic activity of Structure of Human RIPK3-Mlkl Complex

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

Protein crystallography data

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

Fluorine Binding Sites:

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 7mon

Go back to Fluorine Binding Sites List in 7mon
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 7mon

Go back to Fluorine Binding Sites List in 7mon
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 7mon

Go back to Fluorine Binding Sites List in 7mon
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 7mon

Go back to Fluorine Binding Sites List in 7mon
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

Reference:

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
Page generated: Tue Jul 15 21:49:29 2025

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