Fluorine in PDB 2ea2: H-METAP2 Complexed with A773812

All present enzymatic activity of H-METAP2 Complexed with A773812:
3.4.11.18;

The structure of H-METAP2 Complexed with A773812, PDB code: 2ea2 was solved by C.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.91 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	89.721, 99.060, 100.855, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of H-METAP2 Complexed with A773812 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the H-METAP2 Complexed with A773812 (pdb code 2ea2). 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 H-METAP2 Complexed with A773812, PDB code: 2ea2:

Fluorine binding site 1 out of 1 in the H-METAP2 Complexed with A773812


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of H-METAP2 Complexed with A773812 within 5.0Å range: probe atom residue distance (Å) B Occ A:F482 b:27.5 occ:1.00 F23 A:F77482 0.0 27.5 1.0 C20 A:F77482 1.3 27.2 1.0 C21 A:F77482 2.3 27.3 1.0 C19 A:F77482 2.4 27.1 1.0 CB A:ALA230 3.0 15.4 1.0 CD2 A:LEU328 3.3 19.5 1.0 CZ A:PHE366 3.4 16.4 1.0 C22 A:F77482 3.6 27.2 1.0 C18 A:F77482 3.6 27.1 1.0 CD1 A:LEU328 3.8 19.9 1.0 CE1 A:PHE366 3.9 16.4 1.0 CE2 A:PHE366 4.0 16.6 1.0 CD1 A:LEU447 4.0 17.0 1.0 CG A:LEU328 4.1 20.0 1.0 C17 A:F77482 4.1 27.1 1.0 CA A:ALA230 4.5 15.6 1.0 NE2 A:HIS231 4.6 15.9 1.0 O12 A:F77482 4.7 25.7 1.0 CB A:LEU328 4.7 20.1 1.0 CD2 A:HIS231 4.8 16.0 1.0 CE1 A:HIS231 4.9 16.2 1.0 CD1 A:PHE366 4.9 16.8 1.0 N A:ALA230 4.9 15.3 1.0 CD2 A:PHE366 5.0 16.8 1.0

G.T.Wang, R.A.Mantei, M.Kawai, J.S.Tedrow, D.M.Barnes, J.Wang, Q.Zhang, P.Lou, L.A.Garcia, J.Bouska, M.Yates, C.Park, R.A.Judge, R.Lesniewski, G.S.Sheppard, R.L.Bell. Lead Optimization of Methionine Aminopeptidase-2 (METAP2) Inhibitors Containing Sulfonamides of 5,6-Disubstituted Anthranilic Acids Bioorg.Med.Chem.Lett. V. 17 2817 2007.
ISSN: ISSN 0960-894X
PubMed: 17350258
DOI: 10.1016/J.BMCL.2007.02.062