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Sodium in PDB 3zx0: NTPDASE1 in Complex with Heptamolybdate

Enzymatic activity of NTPDASE1 in Complex with Heptamolybdate

All present enzymatic activity of NTPDASE1 in Complex with Heptamolybdate:
3.6.1.5;

Protein crystallography data

The structure of NTPDASE1 in Complex with Heptamolybdate, PDB code: 3zx0 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) 145.73 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.807, 80.267, 164.921, 90.00, 117.92, 90.00
R / Rfree (%) 21.3 / 25.7

Other elements in 3zx0:

The structure of NTPDASE1 in Complex with Heptamolybdate also contains other interesting chemical elements:

Molybdenum (Mo) 28 atoms
Chlorine (Cl) 22 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the NTPDASE1 in Complex with Heptamolybdate (pdb code 3zx0). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the NTPDASE1 in Complex with Heptamolybdate, PDB code: 3zx0:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 3zx0

Go back to Sodium Binding Sites List in 3zx0
Sodium binding site 1 out of 4 in the NTPDASE1 in Complex with Heptamolybdate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na521

b:56.9
occ:1.00
O B:GLN426 2.2 86.4 1.0
OD1 B:ASN429 2.5 89.6 1.0
O B:ALA343 2.6 89.0 1.0
O B:CYS342 3.0 95.2 1.0
O B:GLY427 3.2 82.7 1.0
C B:GLN426 3.5 83.6 1.0
CG B:ASN429 3.6 91.5 1.0
C B:ALA343 3.7 87.0 1.0
ND2 B:ASN429 4.0 94.2 1.0
C B:CYS342 4.0 95.5 1.0
C B:GLY427 4.0 78.8 1.0
CA B:GLY427 4.2 78.1 1.0
N B:GLY427 4.3 79.7 1.0
CA B:ALA343 4.3 87.4 1.0
OXT B:ACY512 4.5 61.4 1.0
CA B:GLN426 4.5 82.9 1.0
N B:ALA343 4.6 91.6 1.0
N B:PHE344 4.8 84.2 1.0
CB B:ASN429 4.9 91.7 1.0
N B:ASN429 4.9 83.1 1.0

Sodium binding site 2 out of 4 in 3zx0

Go back to Sodium Binding Sites List in 3zx0
Sodium binding site 2 out of 4 in the NTPDASE1 in Complex with Heptamolybdate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na521

b:58.0
occ:1.00
O C:LEU329 3.0 54.0 1.0
O C:PHE332 3.2 58.6 1.0
C C:LEU329 3.6 54.0 1.0
CB C:LEU329 3.9 53.8 1.0
OD1 C:ASN334 4.1 59.5 1.0
N C:LYS330 4.2 56.5 1.0
CA C:LYS330 4.2 58.3 1.0
CA C:LEU329 4.3 52.1 1.0
C C:PHE332 4.4 56.2 1.0
CB C:ASN334 4.8 58.8 1.0
C C:LYS330 4.9 57.6 1.0
CG C:ASN334 4.9 59.9 1.0
CB C:PHE332 5.0 52.2 1.0
N C:ASN334 5.0 58.5 1.0

Sodium binding site 3 out of 4 in 3zx0

Go back to Sodium Binding Sites List in 3zx0
Sodium binding site 3 out of 4 in the NTPDASE1 in Complex with Heptamolybdate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na522

b:42.6
occ:1.00
O C:ALA343 2.3 41.9 1.0
OD1 C:ASN429 2.4 41.1 1.0
O C:CYS342 2.4 37.6 1.0
O C:GLY427 2.6 40.1 1.0
O C:GLN426 2.6 39.0 1.0
C C:ALA343 3.3 40.5 1.0
CG C:ASN429 3.4 40.0 1.0
C C:CYS342 3.5 38.6 1.0
C C:GLY427 3.6 39.1 1.0
ND2 C:ASN429 3.7 40.1 1.0
C C:GLN426 3.7 40.4 1.0
CA C:ALA343 3.8 38.4 1.0
CA C:GLY427 4.1 39.5 1.0
N C:ALA343 4.1 38.6 1.0
N C:GLY427 4.3 39.3 1.0
N C:ASN429 4.5 39.0 1.0
N C:PHE344 4.5 40.6 1.0
CA C:CYS342 4.7 39.4 1.0
CB C:ASN429 4.7 39.6 1.0
N C:TYR428 4.7 38.3 1.0
ND2 C:ASN334 4.7 53.1 1.0
N C:CYS342 4.9 39.1 1.0
CA C:GLN426 4.9 42.6 1.0
CA C:ASN429 4.9 40.9 1.0
C C:TYR428 5.0 39.3 1.0

Sodium binding site 4 out of 4 in 3zx0

Go back to Sodium Binding Sites List in 3zx0
Sodium binding site 4 out of 4 in the NTPDASE1 in Complex with Heptamolybdate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na521

b:48.0
occ:1.00
O D:CYS342 2.6 55.0 1.0
OD1 D:ASN429 2.6 57.0 1.0
O D:ALA343 2.6 53.4 1.0
O D:GLN426 2.7 58.6 1.0
O D:GLY427 3.2 54.9 1.0
C D:CYS342 3.6 53.3 1.0
CG D:ASN429 3.6 57.4 1.0
C D:ALA343 3.7 50.9 1.0
ND2 D:ASN429 3.9 55.9 1.0
C D:GLN426 3.9 59.1 1.0
CA D:ALA343 4.2 49.9 1.0
C D:GLY427 4.2 53.0 1.0
ND2 D:ASN334 4.3 57.2 1.0
N D:ALA343 4.3 51.3 1.0
CA D:CYS342 4.5 54.5 1.0
CA D:GLY427 4.6 53.4 1.0
N D:GLY427 4.7 56.2 1.0
N D:CYS342 4.7 57.5 1.0
N D:PHE344 4.8 49.2 1.0
CB D:CYS342 4.8 54.6 1.0
CA D:GLN426 4.9 61.9 1.0
CB D:ASN429 5.0 59.4 1.0

Reference:

M.Zebisch, M.Krauss, P.Schafer, N.Strater. Crystallographic Evidence For A Domain Motion in Rat Nucleoside Triphosphate Diphosphohydrolase (Ntpdase) 1. J. Mol. Biol. V. 415 288 2012.
ISSN: ESSN 1089-8638
PubMed: 22100451
DOI: 10.1016/J.JMB.2011.10.050
Page generated: Mon Oct 7 14:14:16 2024

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