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

Protein crystallography data

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

Other elements in 3g3r:

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

Manganese Binding Sites:

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 3g3r

Go back to Manganese Binding Sites List in 3g3r
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 3g3r

Go back to Manganese Binding Sites List in 3g3r
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

Reference:

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
Page generated: Tue Dec 15 04:09:54 2020

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