Fluorine in PDB 7m4t: Menin Bound to M-1121

Protein crystallography data

The structure of Menin Bound to M-1121, PDB code: 7m4t was solved by J.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.55 / 2.74
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 153.52, 153.52, 81.93, 90, 90, 90
R / Rfree (%) 20.2 / 21.5

Other elements in 7m4t:

The structure of Menin Bound to M-1121 also contains other interesting chemical elements:

Praseodymium (Pr) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Menin Bound to M-1121 (pdb code 7m4t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Menin Bound to M-1121, PDB code: 7m4t:

Fluorine binding site 1 out of 1 in 7m4t

Go back to Fluorine Binding Sites List in 7m4t
Fluorine binding site 1 out of 1 in the Menin Bound to M-1121


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Menin Bound to M-1121 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:26.4
occ:1.00
F A:YQV701 0.0 26.4 1.0
C A:YQV701 1.4 23.0 1.0
C43 A:YQV701 2.3 20.0 1.0
C1 A:YQV701 2.3 20.1 1.0
H4 A:YQV701 2.5 20.0 1.0
H62 A:YQV701 2.6 20.0 1.0
C A:ASP180 3.0 31.1 1.0
N A:HIS181 3.0 26.9 1.0
O A:ASP180 3.1 31.1 1.0
CA A:HIS181 3.3 26.6 1.0
C A:HIS181 3.4 31.4 1.0
C42 A:YQV701 3.6 20.0 1.0
C2 A:YQV701 3.6 21.1 1.0
O A:HIS181 3.7 30.4 1.0
CA A:ASP180 3.7 27.9 1.0
CB A:SER155 3.9 32.4 1.0
N A:ALA182 4.0 29.7 1.0
C41 A:YQV701 4.1 20.0 1.0
OG A:SER155 4.2 42.9 1.0
H51 A:YQV701 4.3 20.0 1.0
H48 A:YQV701 4.3 20.0 1.0
N A:ASP180 4.3 27.6 1.0
H61 A:YQV701 4.5 20.0 1.0
CB A:ALA182 4.6 31.1 1.0
H42 A:YQV701 4.7 20.0 1.0
CB A:HIS181 4.8 26.9 1.0
CA A:ALA182 4.8 30.4 1.0
CA A:SER155 4.9 28.8 1.0
C3 A:YQV701 4.9 20.3 1.0
C A:GLU179 5.0 30.6 1.0
C33 A:YQV701 5.0 20.0 1.0

Reference:

M.Zhang, A.Aguilar, S.Xu, L.Huang, K.Chinnaswamy, T.Sleger, B.Wang, S.Gross, B.N.Nicolay, S.Ronseaux, K.Harvey, Y.Wang, D.Mceachern, P.D.Kirchhoff, Z.Liu, J.Stuckey, A.E.Tron, T.Liu, S.Wang. Discovery of M-1121 As An Orally Active Covalent Inhibitor of Menin-Mll Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. J.Med.Chem. V. 64 10333 2021.
ISSN: ISSN 0022-2623
PubMed: 34196551
DOI: 10.1021/ACS.JMEDCHEM.1C00789
Page generated: Sat Aug 21 13:50:15 2021

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