Manganese in PDB 6b3b: Apra Methyltransferase 1 - Gnat in Complex with MN2+ , Sam, and Malonate

The structure of Apra Methyltransferase 1 - Gnat in Complex with MN2+ , Sam, and Malonate, PDB code: 6b3b 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)	46.99 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.705, 88.337, 136.755, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.8

The binding sites of Manganese atom in the Apra Methyltransferase 1 - Gnat in Complex with MN2+ , Sam, and Malonate (pdb code 6b3b). 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 in Complex with MN2+ , Sam, and Malonate, PDB code: 6b3b:

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


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 in Complex with MN2+ , Sam, and Malonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn702 b:23.4 occ:1.00 O8 A:MLI703 2.0 33.4 1.0 OE1 A:GLN461 2.2 23.9 1.0 NE2 A:HIS369 2.2 18.7 1.0 NE2 A:HIS456 2.2 26.1 1.0 O6 A:MLI703 2.3 29.1 1.0 O A:HOH851 2.3 21.2 1.0 C3 A:MLI703 3.0 40.7 1.0 CD2 A:HIS456 3.1 24.4 1.0 CD2 A:HIS369 3.1 19.7 1.0 CD A:GLN461 3.2 24.6 1.0 C2 A:MLI703 3.2 34.9 1.0 CE1 A:HIS456 3.2 26.9 1.0 CE1 A:HIS369 3.3 21.1 1.0 C1 A:MLI703 3.5 42.2 1.0 NE2 A:GLN461 3.5 25.9 1.0 OD2 A:ASP370 4.1 30.3 1.0 O9 A:MLI703 4.1 44.3 1.0 CG A:HIS456 4.2 25.5 1.0 ND1 A:HIS456 4.2 28.7 1.0 O A:HOH942 4.3 29.5 1.0 CG A:HIS369 4.3 18.8 1.0 ND1 A:HIS369 4.3 16.2 1.0 O A:HOH1053 4.3 40.1 1.0 O7 A:MLI703 4.4 33.0 1.0 CG A:GLN461 4.5 20.9 1.0 CG A:ASP370 4.5 33.8 1.0 O A:HOH807 4.5 41.1 1.0 CB A:ASP370 4.7 22.8 1.0 CB A:GLN461 4.9 21.4 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