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Fluorine in PDB 6b41: Menin Bound to M-525

Protein crystallography data

The structure of Menin Bound to M-525, PDB code: 6b41 was solved by J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.67 / 2.61
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 153.920, 153.920, 81.618, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 25.2

Other elements in 6b41:

The structure of Menin Bound to M-525 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-525 (pdb code 6b41). 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-525, PDB code: 6b41:

Fluorine binding site 1 out of 1 in 6b41

Go back to Fluorine Binding Sites List in 6b41
Fluorine binding site 1 out of 1 in the Menin Bound to M-525


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-525 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:40.1
occ:1.00
F A:CJV701 0.0 40.1 1.0
C A:CJV701 1.3 34.1 1.0
C38 A:CJV701 2.3 33.3 1.0
C1 A:CJV701 2.3 28.0 1.0
H50 A:CJV701 2.5 32.8 1.0
O A:SER178 2.5 27.2 1.0
H2 A:CJV701 2.6 27.3 1.0
C4 A:CJV701 3.6 31.1 1.0
C2 A:CJV701 3.6 24.9 1.0
C A:SER178 3.7 27.7 1.0
CB A:LEU177 3.8 26.5 1.0
CD2 A:LEU177 3.8 29.5 1.0
CE A:MET278 3.9 27.3 1.0
H16 A:CJV701 4.0 25.1 1.0
C3 A:CJV701 4.1 27.9 1.0
H1 A:CJV701 4.1 31.4 1.0
CA A:GLU179 4.2 20.9 1.0
CG A:LEU177 4.2 30.0 1.0
H17 A:CJV701 4.2 26.5 1.0
N A:SER178 4.3 27.5 1.0
C A:GLU179 4.3 25.3 1.0
O1 A:CJV701 4.3 33.5 1.0
N A:GLU179 4.4 22.5 1.0
O A:HIS181 4.5 22.6 1.0
H3 A:CJV701 4.5 24.2 1.0
CE1 A:PHE238 4.5 26.0 1.0
CD1 A:LEU177 4.5 29.3 1.0
O A:GLU179 4.6 25.1 1.0
N A:ASP180 4.6 22.2 1.0
CA A:LEU177 4.6 26.8 1.0
C A:LEU177 4.7 30.8 1.0
C15 A:CJV701 4.7 26.1 1.0
CA A:SER178 4.7 25.9 1.0
C5 A:CJV701 4.8 27.7 1.0
H13 A:CJV701 4.9 29.2 1.0
CE A:MET228 4.9 28.9 1.0

Reference:

S.Xu, A.Aguilar, T.Xu, K.Zheng, L.Huang, J.Stuckey, K.Chinnaswamy, D.Bernard, E.Fernandez-Salas, L.Liu, M.Wang, D.Mceachern, S.Przybranowski, C.Foster, S.Wang. Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-Mll Protein-Protein Interaction. Angew. Chem. Int. Ed. Engl. V. 57 1601 2018.
ISSN: ESSN 1521-3773
PubMed: 29284071
DOI: 10.1002/ANIE.201711828
Page generated: Wed Oct 28 15:39:28 2020

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