Manganese in PDB 3g3r: Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+

The structure of Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+, PDB code: 3g3r was solved by M.Hothorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.260, 100.970, 102.370, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25.3

The structure of Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+ also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+ (pdb code 3g3r). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+, PDB code: 3g3r:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+


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 A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:46.3 occ:1.00 O2B A:ANP1000 2.2 41.6 1.0 O1A A:ANP1000 2.2 44.9 1.0 O3G A:ANP1000 2.3 46.8 1.0 OE2 A:GLU426 2.4 43.9 1.0 OE1 A:GLU426 2.5 49.5 1.0 O A:HOH494 2.6 45.0 1.0 CD A:GLU426 2.8 43.6 1.0 PB A:ANP1000 3.1 39.2 1.0 O3A A:ANP1000 3.3 35.9 1.0 PA A:ANP1000 3.4 39.7 1.0 PG A:ANP1000 3.5 45.4 1.0 N3B A:ANP1000 3.8 46.2 1.0 O A:HOH42 4.1 40.2 1.0 NZ A:LYS281 4.2 48.8 1.0 CG A:GLU426 4.2 45.3 1.0 CE A:LYS200 4.2 41.0 1.0 NH2 A:ARG361 4.2 33.2 1.0 NZ A:LYS200 4.2 40.1 1.0 O1G A:ANP1000 4.3 43.1 1.0 O5' A:ANP1000 4.3 34.0 1.0 NZ A:LYS458 4.4 32.8 1.0 O2A A:ANP1000 4.4 41.5 1.0 O A:HOH168 4.5 47.9 1.0 O2G A:ANP1000 4.6 43.9 1.0 O1B A:ANP1000 4.6 39.3 1.0 O A:HOH89 4.7 53.6 1.0 CD A:LYS200 5.0 43.0 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Eukaryotic Polyphosphate Polymerase in Complex with Appnhp-MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1001 b:53.7 occ:1.00 O1B B:ANP1000 2.2 45.2 1.0 OE2 B:GLU426 2.4 45.7 1.0 OE1 B:GLU426 2.4 50.9 1.0 O B:HOH174 2.4 43.4 1.0 O1A B:ANP1000 2.4 58.4 1.0 O1G B:ANP1000 2.7 47.1 1.0 CD B:GLU426 2.7 49.2 1.0 O3A B:ANP1000 2.9 48.1 1.0 PB B:ANP1000 3.3 42.4 1.0 PA B:ANP1000 3.4 44.3 1.0 PG B:ANP1000 3.7 51.2 1.0 O B:HOH127 4.0 41.7 1.0 CE B:LYS200 4.0 42.6 1.0 N3B B:ANP1000 4.0 44.1 1.0 NZ B:LYS200 4.1 44.5 1.0 NH2 B:ARG361 4.1 42.1 1.0 CG B:GLU426 4.2 42.8 1.0 O5' B:ANP1000 4.3 45.8 1.0 O3G B:ANP1000 4.3 46.5 1.0 O2A B:ANP1000 4.4 40.4 1.0 O2B B:ANP1000 4.6 44.0 1.0 NZ B:LYS458 4.7 40.5 1.0

M.Hothorn, H.Neumann, E.D.Lenherr, M.Wehner, V.Rybin, P.O.Hassa, A.Uttenweiler, M.Reinhardt, A.Schmidt, J.Seiler, A.G.Ladurner, C.Herrmann, K.Scheffzek, A.Mayer. Catalytic Core of A Membrane-Associated Eukaryotic Polyphosphate Polymerase. Science V. 324 513 2009.
ISSN: ISSN 0036-8075
PubMed: 19390046
DOI: 10.1126/SCIENCE.1168120