Sodium in PDB 4bvp: Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate

The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate, PDB code: 4bvp was solved by M.Zebisch, P.Schaefer, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.34 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.564, 85.436, 71.779, 90.00, 103.94, 90.00
R / Rfree (%)	12.608 / 16.858

The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate also contains other interesting chemical elements:

Molybdenum	(Mo)	46 atoms
Magnesium	(Mg)	5 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Sodium atom in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate (pdb code 4bvp). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate, PDB code: 4bvp:

Sodium binding site 1 out of 1 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Heptamolybdate and Octamolybdate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1402 b:32.0 occ:1.00 OE1 B:GLU233 2.3 20.5 1.0 OE1 A:GLU233 2.4 22.3 1.0 O A:HOH2131 2.6 13.3 1.0 CD B:GLU233 3.3 14.6 1.0 CD A:GLU233 3.4 15.2 1.0 ND1 A:HIS236 3.4 10.6 1.0 ND1 B:HIS236 3.5 10.1 1.0 O A:HOH2132 3.6 27.8 1.0 O A:GLU233 3.8 9.2 1.0 O B:GLU233 3.8 9.2 1.0 CA B:GLU233 3.8 8.2 1.0 CA A:GLU233 3.8 7.4 1.0 OE2 B:GLU233 3.9 17.4 1.0 CB B:GLU233 3.9 10.8 1.0 CB A:HIS236 4.0 7.3 1.0 OE2 A:GLU233 4.0 19.4 1.0 CB A:GLU233 4.0 10.6 1.0 CB B:HIS236 4.1 7.8 1.0 CG A:HIS236 4.1 7.2 1.0 CG B:HIS236 4.2 6.6 1.0 CG B:GLU233 4.2 12.6 1.0 CG A:GLU233 4.3 10.6 1.0 C B:GLU233 4.3 6.9 1.0 C A:GLU233 4.3 7.5 1.0 CE1 A:HIS236 4.4 12.5 1.0 CE1 B:HIS236 4.5 12.8 1.0 NE2 A:GLN237 4.9 8.9 1.0 NE2 B:GLN237 4.9 10.2 1.0

M.Zebisch, M.Krauss, P.Schafer, N.Strater. Structures of Legionella Pneumophila NTPDASE1 in Complex with Polyoxometallates. Acta Crystallogr.,Sect.D V. 70 1147 2014.
ISSN: ISSN 0907-4449
PubMed: 24699658
DOI: 10.1107/S1399004714001916