Manganese in PDB 6b3a: Apra Methyltransferase 1 - Gnat Didomain in Complex with MN2+ and Sam

The structure of Apra Methyltransferase 1 - Gnat Didomain in Complex with MN2+ and Sam, PDB code: 6b3a was solved by M.A.Skiba, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.67 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.519, 87.050, 135.961, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.6

The binding sites of Manganese atom in the Apra Methyltransferase 1 - Gnat Didomain in Complex with MN2+ and Sam (pdb code 6b3a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Apra Methyltransferase 1 - Gnat Didomain in Complex with MN2+ and Sam, PDB code: 6b3a:

Manganese binding site 1 out of 1 in the Apra Methyltransferase 1 - Gnat Didomain in Complex with MN2+ and Sam


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Apra Methyltransferase 1 - Gnat Didomain in Complex with MN2+ and Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn702 b:28.4 occ:1.00 NE2 A:HIS456 2.2 21.9 1.0 OE1 A:GLN461 2.2 35.4 1.0 O A:HOH1087 2.2 30.0 1.0 O A:HOH1070 2.2 28.9 1.0 NE2 A:HIS369 2.3 26.6 1.0 O A:HOH1148 2.3 38.8 1.0 CD2 A:HIS456 3.0 28.5 1.0 CD2 A:HIS369 3.2 22.5 1.0 CD A:GLN461 3.2 25.2 1.0 CE1 A:HIS456 3.2 29.1 1.0 CE1 A:HIS369 3.3 25.2 1.0 NE2 A:GLN461 3.6 26.8 1.0 O A:HOH948 4.0 51.0 1.0 O A:HOH951 4.1 41.1 1.0 CG A:HIS456 4.2 25.1 1.0 OD2 A:ASP370 4.2 51.9 1.0 ND1 A:HIS456 4.2 27.2 1.0 CG A:HIS369 4.3 22.8 1.0 ND1 A:HIS369 4.4 23.4 1.0 O A:HOH860 4.4 47.9 1.0 CG A:GLN461 4.5 28.2 1.0 CG A:ASP370 4.7 49.7 1.0 CB A:GLN461 4.9 24.4 1.0 CB A:ASP370 5.0 34.0 1.0

M.A.Skiba, A.P.Sikkema, N.A.Moss, C.L.Tran, R.M.Sturgis, L.Gerwick, W.H.Gerwick, D.H.Sherman, J.L.Smith. A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit. Acs Chem. Biol. V. 12 3039 2017.
ISSN: ESSN 1554-8937
PubMed: 29096064
DOI: 10.1021/ACSCHEMBIO.7B00746