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Fluorine in PDB 4wt2: Co-Crystal Structure of MDM2 in Complex with Am-7209

Protein crystallography data

The structure of Co-Crystal Structure of MDM2 in Complex with Am-7209, PDB code: 4wt2 was solved by P.L.Shaffer, X.Huang, P.Yakowec, A.M.Long, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.76 / 1.42
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 45.517, 45.517, 208.624, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 19.2

Other elements in 4wt2:

The structure of Co-Crystal Structure of MDM2 in Complex with Am-7209 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Co-Crystal Structure of MDM2 in Complex with Am-7209 (pdb code 4wt2). 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 Co-Crystal Structure of MDM2 in Complex with Am-7209, PDB code: 4wt2:

Fluorine binding site 1 out of 1 in 4wt2

Go back to Fluorine Binding Sites List in 4wt2
Fluorine binding site 1 out of 1 in the Co-Crystal Structure of MDM2 in Complex with Am-7209


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Co-Crystal Structure of MDM2 in Complex with Am-7209 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:15.5
occ:1.00
F1 A:3UD201 0.0 15.5 1.0
C24 A:3UD201 1.3 14.8 1.0
C25 A:3UD201 2.3 13.4 1.0
C23 A:3UD201 2.4 13.2 1.0
CL2 A:3UD201 3.0 20.3 1.0
CE2 A:PHE91 3.3 14.4 1.0
CD1 A:ILE99 3.5 14.0 1.0
C1 A:3UD201 3.6 12.3 1.0
C22 A:3UD201 3.6 13.9 1.0
CZ A:PHE91 3.8 15.0 1.0
CD1 A:ILE61 3.9 12.8 1.0
CG1 A:VAL93 4.0 14.9 1.0
C21 A:3UD201 4.1 12.5 1.0
C36 A:3UD201 4.1 13.9 1.0
CG1 A:ILE99 4.2 13.5 1.0
CA A:VAL93 4.3 14.1 1.0
CD2 A:PHE91 4.4 14.2 1.0
CB A:VAL93 4.4 14.4 1.0
CG2 A:ILE99 4.5 12.9 1.0
CG2 A:VAL75 4.6 17.2 1.0
C2 A:3UD201 4.9 12.2 1.0

Reference:

Y.Rew, D.Sun, X.Yan, H.P.Beck, J.Canon, C.Ada, J.Duquette, J.Eksterowicz, B.M.Fox, J.Fu, A.Z.Gonzalez, J.B.Houze, X.Huang, B.Jiang, L.Jin, Y.Li, Z.Li, Y.Ling, M.C.Lo, A.M.Long, L.R.Mcgee, J.Mcintosh, J.Oliner, T.Osgood, A.Saiki, P.Shaffer, S.Wortman, P.Yakowec, Q.Ye, D.Yu, J.C.Medina, S.H.Olson. Discovery of Am-7209, A Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-P53 Interaction. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25384157
DOI: 10.1021/JM501550P
Page generated: Tue Jul 15 01:22:09 2025

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