Fluorine in PDB 6bxh: Menin in Complex with Mi-853

Protein crystallography data

The structure of Menin in Complex with Mi-853, PDB code: 6bxh was solved by D.Borkin, S.Klossowski, J.Pollock, B.Linhares, T.Cierpicki, J.Grembecka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.90 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.034, 78.118, 121.326, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 25.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Menin in Complex with Mi-853 (pdb code 6bxh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Menin in Complex with Mi-853, PDB code: 6bxh:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6bxh

Go back to Fluorine Binding Sites List in 6bxh
Fluorine binding site 1 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Menin in Complex with Mi-853 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F603

b:33.7
occ:1.00
 FAL A:EE7603 0.0 33.7 1.0
CAK A:EE7603 1.3 31.6 1.0
FAM A:EE7603 2.2 33.0 1.0
FAN A:EE7603 2.2 32.7 1.0
CAJ A:EE7603 2.3 28.9 1.0
CAH A:EE7603 2.8 26.7 1.0
CAG A:EE7603 3.3 21.6 1.0
S A:DMS601 3.6 45.6 0.8
O A:HOH765 3.8 48.8 1.0
OG A:SER155 3.8 34.3 1.0
CB A:SER155 3.9 33.1 1.0
SAI A:EE7603 3.9 24.7 1.0
O A:DMS601 3.9 53.4 0.8
C2 A:DMS601 4.1 41.8 0.8
O A:HOH727 4.1 43.4 1.0
C5 A:EE7603 4.4 31.5 1.0
C4 A:EE7603 4.7 29.4 1.0
C A:ASP180 4.7 28.6 1.0
CE2 A:PHE238 4.8 31.4 1.0
CA A:ASP180 4.8 30.5 1.0
N A:HIS181 4.9 25.1 1.0
O A:ASP180 4.9 25.6 1.0

Fluorine binding site 2 out of 4 in 6bxh

Go back to Fluorine Binding Sites List in 6bxh
Fluorine binding site 2 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Menin in Complex with Mi-853 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F603

b:33.0
occ:1.00
 FAM A:EE7603 0.0 33.0 1.0
CAK A:EE7603 1.3 31.6 1.0
FAL A:EE7603 2.2 33.7 1.0
FAN A:EE7603 2.2 32.7 1.0
CAJ A:EE7603 2.3 28.9 1.0
CAH A:EE7603 2.9 26.7 1.0
SAI A:EE7603 3.1 24.7 1.0
CB A:SER155 3.4 33.1 1.0
CD2 A:LEU177 3.5 20.6 1.0
CE2 A:PHE238 3.5 31.4 1.0
OG A:SER155 4.0 34.3 1.0
O A:HIS181 4.0 29.8 1.0
CAG A:EE7603 4.0 21.6 1.0
CB A:ALA182 4.0 28.2 1.0
CZ A:PHE238 4.1 30.4 1.0
S A:DMS601 4.3 45.6 0.8
C A:HIS181 4.4 30.0 1.0
CD2 A:PHE238 4.5 30.9 1.0
C4 A:EE7603 4.5 29.4 1.0
C2 A:DMS601 4.7 41.8 0.8
CG A:LEU177 4.7 33.9 1.0
CA A:SER155 4.8 30.7 1.0
C5 A:EE7603 4.8 31.5 1.0
N A:ALA182 4.9 36.2 1.0
CB A:LEU177 4.9 28.9 1.0
O A:SER178 4.9 28.0 1.0
CA A:ALA182 4.9 36.2 1.0
N A:HIS181 4.9 25.1 1.0

Fluorine binding site 3 out of 4 in 6bxh

Go back to Fluorine Binding Sites List in 6bxh
Fluorine binding site 3 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Menin in Complex with Mi-853 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F603

b:32.7
occ:1.00
 FAN A:EE7603 0.0 32.7 1.0
CAK A:EE7603 1.4 31.6 1.0
FAL A:EE7603 2.2 33.7 1.0
FAM A:EE7603 2.2 33.0 1.0
CAJ A:EE7603 2.4 28.9 1.0
N A:HIS181 3.1 25.1 1.0
C A:HIS181 3.2 30.0 1.0
O A:HIS181 3.2 29.8 1.0
CA A:HIS181 3.3 26.5 1.0
O A:HOH765 3.4 48.8 1.0
C A:ASP180 3.4 28.6 1.0
O A:ASP180 3.7 25.6 1.0
CAH A:EE7603 3.7 26.7 1.0
CB A:SER155 3.8 33.1 1.0
N A:ALA182 3.8 36.2 1.0
CB A:ALA182 4.1 28.2 1.0
CA A:ASP180 4.1 30.5 1.0
OG A:SER155 4.4 34.3 1.0
CA A:ALA182 4.5 36.2 1.0
N A:ASP180 4.5 29.5 1.0
CAG A:EE7603 4.6 21.6 1.0
SAI A:EE7603 4.7 24.7 1.0
O A:HOH727 4.8 43.4 1.0
CA A:SER155 4.8 30.7 1.0
CB A:HIS181 4.8 25.2 1.0
O A:SER178 5.0 28.0 1.0

Fluorine binding site 4 out of 4 in 6bxh

Go back to Fluorine Binding Sites List in 6bxh
Fluorine binding site 4 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Menin in Complex with Mi-853 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F603

b:93.1
occ:1.00
 FBT A:EE7603 0.0 93.1 1.0
CBR A:EE7603 1.4 83.1 1.0
CBQ A:EE7603 2.4 74.9 1.0
O A:GLY326 2.9 38.2 1.0
OBS A:EE7603 2.9 72.1 1.0
CA A:GLY326 3.1 29.3 1.0
CB A:CYS329 3.1 42.6 1.0
NBN A:EE7603 3.3 68.1 1.0
C A:GLY326 3.4 30.2 1.0
SG A:CYS329 3.5 42.7 1.0
CBO A:EE7603 3.6 61.4 1.0
CG A:ARG330 4.0 44.9 1.0
N A:ARG330 4.1 38.6 1.0
NH1 A:ARG330 4.2 42.5 1.0
CA A:CYS329 4.3 36.2 1.0
N A:GLY326 4.3 31.6 1.0
O A:ALA325 4.4 30.4 1.0
C A:CYS329 4.4 37.7 1.0
CBM A:EE7603 4.6 63.8 1.0
N A:CYS329 4.7 32.8 1.0
CBP A:EE7603 4.7 54.8 1.0
N A:TYR327 4.7 28.6 1.0
NBH A:EE7603 4.8 32.9 1.0
C A:ALA325 4.8 33.3 1.0
CD A:ARG330 4.9 47.0 1.0
CA A:ARG330 4.9 43.4 1.0
CB A:ARG330 4.9 44.3 1.0
CZ A:ARG330 5.0 46.5 1.0

Reference:

D.Borkin, S.Klossowski, J.Pollock, B.Linhares, T.Cierpicki, J.Grembecka. Menin in Complex with Mi-853 To Be Published.
Page generated: Sun Dec 13 12:46:08 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy