Manganese in PDB 6n1a: Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii

The structure of Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii, PDB code: 6n1a was solved by L.Sim, P.Rahfeld, S.G.Withers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.20 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.584, 69.186, 104.325, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 16.7

The structure of Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii (pdb code 6n1a). 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 Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii, PDB code: 6n1a:

Manganese binding site 1 out of 1 in the Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of An N-Acetylgalactosamine Deacetylase From F. Plautii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:13.5 occ:1.00 O A:HOH666 2.1 16.1 1.0 OD1 A:ASP99 2.1 15.5 1.0 O A:HOH786 2.1 15.3 1.0 OD1 A:CSD98 2.1 17.9 1.0 NE2 A:HIS251 2.2 14.4 1.0 O A:HOH712 2.2 16.0 1.0 CE1 A:HIS251 3.0 12.9 1.0 CG A:ASP99 3.1 15.6 1.0 CD2 A:HIS251 3.2 13.1 1.0 SG A:CSD98 3.4 18.0 1.0 OD2 A:ASP99 3.4 14.8 1.0 OD2 A:CSD98 3.6 18.9 1.0 O3 A:GOL504 4.0 31.9 1.0 O A:HOH776 4.0 15.8 1.0 O A:HOH870 4.1 34.2 1.0 CB A:CSD98 4.1 14.3 1.0 ND1 A:HIS33 4.1 13.6 1.0 ND1 A:HIS251 4.2 12.8 1.0 OH A:TYR314 4.2 16.4 1.0 C3 A:GOL504 4.3 35.2 1.0 CG A:HIS251 4.3 13.1 1.0 CE2 A:TYR314 4.4 13.8 1.0 CB A:ASP99 4.4 14.4 1.0 N A:ASP99 4.4 14.4 1.0 CE1 A:HIS33 4.6 13.7 1.0 CA A:ASP99 4.6 15.5 1.0 CZ A:TYR314 4.8 15.1 1.0 OE2 A:GLU63 4.9 19.5 1.0 CA A:CSD98 5.0 15.8 1.0

P.Rahfeld, L.Sim, H.Moon, I.Constantinescu, C.Morgan-Lang, S.J.Hallam, J.N.Kizhakkedathu, S.G.Withers. An Enzymatic Pathway in the Human Gut Microbiome That Converts A to Universal O Type Blood. Nat Microbiol V. 4 1475 2019.
ISSN: ESSN 2058-5276
PubMed: 31182795
DOI: 10.1038/S41564-019-0469-7