Manganese 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:

Fluorine

(F)

1 atom

The binding sites of Manganese atom in the H-METAP2 Complexed with A773812 (pdb code 2ea2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the H-METAP2 Complexed with A773812, PDB code: 2ea2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the H-METAP2 Complexed with A773812


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of H-METAP2 Complexed with A773812 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn480 b:22.2 occ:1.00 OE2 A:GLU459 2.2 19.3 1.0 OD2 A:ASP251 2.2 16.5 1.0 OD2 A:ASP262 2.2 16.7 1.0 OD1 A:ASP251 2.5 16.6 1.0 O A:HOH613 2.7 6.0 0.5 CG A:ASP251 2.7 16.4 1.0 CG A:ASP262 3.1 16.5 1.0 CD A:GLU459 3.1 19.1 1.0 OD1 A:ASP262 3.2 16.4 1.0 MN A:MN481 3.3 20.2 1.0 OE1 A:GLU459 3.4 19.0 1.0 OE2 A:GLU364 3.8 19.3 1.0 CB A:ASP251 4.2 16.1 1.0 CZ A:PHE219 4.2 18.0 1.0 O12 A:F77482 4.2 25.7 1.0 NE2 A:GLN457 4.2 18.7 1.0 O A:HOH610 4.3 9.7 1.0 O11 A:F77482 4.4 25.9 1.0 CB A:ASP262 4.5 16.6 1.0 CG A:GLU459 4.5 19.2 1.0 CE2 A:PHE219 4.5 18.1 1.0 CD A:GLU364 4.6 19.2 1.0 CB A:ALA264 4.6 16.0 1.0 C10 A:F77482 4.6 25.9 1.0 N A:CYS263 4.8 16.7 1.0 OE1 A:GLU364 4.8 19.3 1.0 C A:ASP262 4.8 16.9 1.0 CB A:GLU459 4.9 19.0 1.0 CA A:ASP262 4.9 16.8 1.0 CE1 A:PHE219 5.0 18.4 1.0

Manganese binding site 2 out of 2 in the H-METAP2 Complexed with A773812


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of H-METAP2 Complexed with A773812 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn481 b:20.2 occ:1.00 OD1 A:ASP262 2.2 16.4 1.0 OE1 A:GLU459 2.2 19.0 1.0 O11 A:F77482 2.4 25.9 1.0 OE1 A:GLU364 2.4 19.3 1.0 NE2 A:HIS331 2.5 19.5 1.0 CD A:GLU364 3.1 19.2 1.0 CD A:GLU459 3.2 19.1 1.0 CG A:ASP262 3.2 16.5 1.0 OE2 A:GLU364 3.3 19.3 1.0 MN A:MN480 3.3 22.2 1.0 C10 A:F77482 3.3 25.9 1.0 CD2 A:HIS331 3.3 19.6 1.0 O12 A:F77482 3.5 25.7 1.0 OE2 A:GLU459 3.5 19.3 1.0 CE1 A:HIS331 3.5 19.6 1.0 OD2 A:ASP262 3.7 16.7 1.0 CB A:ALA362 4.1 19.8 1.0 CG A:GLU364 4.3 19.0 1.0 C18 A:F77482 4.3 27.1 1.0 O A:HOH613 4.4 6.0 0.5 CB A:ASP262 4.4 16.6 1.0 CG A:GLU459 4.5 19.2 1.0 CG A:HIS331 4.5 19.7 1.0 ND1 A:HIS331 4.6 19.5 1.0 C7 A:F77482 4.7 26.0 1.0 C19 A:F77482 4.7 27.1 1.0 N13 A:F77482 4.9 26.9 1.0 CD1 A:ILE338 4.9 26.7 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