Fluorine in PDB 7p3g: Eed in Complex with Compound 4

Protein crystallography data

The structure of Eed in Complex with Compound 4, PDB code: 7p3g was solved by J.A.Read, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.90 / 2.39
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.27, 89.31, 98.68, 90, 90, 90
R / Rfree (%) 18.2 / 23.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Eed in Complex with Compound 4 (pdb code 7p3g). 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 Eed in Complex with Compound 4, PDB code: 7p3g:

Fluorine binding site 1 out of 1 in 7p3g

Go back to Fluorine Binding Sites List in 7p3g
Fluorine binding site 1 out of 1 in the Eed in Complex with Compound 4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Eed in Complex with Compound 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:52.8
occ:1.00
F B:52R501 0.0 52.8 1.0
C12 B:52R501 1.4 47.0 1.0
C11 B:52R501 2.3 45.8 1.0
C13 B:52R501 2.3 42.4 1.0
C10 B:52R501 2.9 47.1 1.0
N7 B:52R501 3.0 49.6 1.0
O B:LEU240 3.2 46.1 1.0
CB B:ASN194 3.3 51.6 1.0
OD1 B:ASN194 3.4 47.4 1.0
CG B:ASN194 3.4 61.3 1.0
NH2 B:ARG367 3.5 50.0 1.0
C14 B:52R501 3.6 41.8 1.0
C16 B:52R501 3.6 42.5 1.0
CD1 B:TYR365 3.8 66.4 1.0
CB B:LEU240 3.9 47.1 1.0
O B:ASN194 3.9 53.3 1.0
CA B:LEU240 3.9 45.5 1.0
C B:LEU240 4.0 48.1 1.0
CD2 B:LEU240 4.0 57.4 1.0
CE1 B:TYR365 4.0 67.4 1.0
C15 B:52R501 4.1 41.3 1.0
CA B:ASN194 4.2 51.1 1.0
C7 B:52R501 4.2 54.4 1.0
CZ B:ARG367 4.3 75.5 1.0
ND2 B:ASN194 4.3 49.9 1.0
C B:ASN194 4.3 52.6 1.0
NH1 B:ARG367 4.5 65.9 1.0
CG B:LEU240 4.6 53.1 1.0
N4 B:52R501 4.9 59.2 1.0
N3 B:52R501 4.9 54.3 1.0
C17 B:52R501 5.0 42.6 1.0

Reference:

S.K.Bagal, C.Gregson, D.H.O' Donovan, K.G.Pike, A.Bloecher, P.Barton, A.Borodovsky, E.Code, S.M.Fillery, J.H.Hsu, S.P.Kawatkar, C.Li, D.Longmire, Y.Nai, S.C.Nash, A.Pike, J.Robinson, J.A.Read, P.B.Rawlins, M.Shen, J.Tang, P.Wang, H.Woods, B.Williamson. Diverse, Potent, and Efficacious Inhibitors That Target the Eed Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34807608
DOI: 10.1021/ACS.JMEDCHEM.1C01161
Page generated: Fri Dec 17 09:13:04 2021

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