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Calcium in PDB 3rx5: Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine

Enzymatic activity of Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine

All present enzymatic activity of Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine:
3.2.1.4;

Protein crystallography data

The structure of Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine, PDB code: 3rx5 was solved by S.Morera, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.68 / 1.99
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.210, 129.470, 49.310, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 20.1

Other elements in 3rx5:

The structure of Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine (pdb code 3rx5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine, PDB code: 3rx5:

Calcium binding site 1 out of 1 in 3rx5

Go back to Calcium Binding Sites List in 3rx5
Calcium binding site 1 out of 1 in the Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca538

b:13.4
occ:1.00
 OD2 A:ASP302 2.3 24.7 1.0
O A:HOH588 2.3 17.6 1.0
OE1 A:GLU308 2.3 20.3 1.0
O A:ALA344 2.4 14.7 1.0
OD2 A:ASP307 2.4 12.8 1.0
O A:GLU304 2.4 14.4 1.0
OE2 A:GLU308 2.5 23.2 1.0
OD1 A:ASP307 2.5 15.8 1.0
CD A:GLU308 2.7 26.6 1.0
CG A:ASP307 2.8 15.8 1.0
CG A:ASP302 3.3 20.7 1.0
C A:ALA344 3.5 15.3 1.0
OD1 A:ASP302 3.6 21.6 1.0
C A:GLU304 3.6 17.2 1.0
O A:HOH582 4.1 16.9 1.0
CG A:GLU308 4.3 20.0 1.0
CB A:ASP307 4.3 11.1 1.0
CA A:ASP345 4.3 12.9 1.0
N A:ASP345 4.4 12.9 1.0
CB A:GLU304 4.4 14.9 1.0
N A:LEU305 4.5 14.4 1.0
OD2 A:ASP345 4.5 21.4 1.0
CA A:LEU305 4.5 13.6 1.0
CA A:GLU304 4.5 14.1 1.0
CA A:ALA344 4.5 11.2 1.0
O A:HOH587 4.6 17.4 1.0
CB A:ASP302 4.6 12.9 1.0
O A:HOH571 4.6 13.4 1.0
CG A:GLU304 4.7 15.6 1.0
N A:GLU308 4.7 9.8 1.0
N A:VAL346 4.9 10.8 1.0
CD2 A:LEU305 5.0 19.1 1.0
N A:ASP307 5.0 11.6 1.0
N A:GLU304 5.0 15.8 1.0

Reference:

S.Morera, A.Vigouroux, K.A.Stubbs. A Fortuitous Binding of Inhibitors-Derived Isofagomine For Inverting GH9 Beta-Glycosidase Org.Biomol.Chem. V. 9 5945 2011.
ISSN: ISSN 1477-0520
PubMed: 21785782
DOI: 10.1039/C1OB05766A
Page generated: Sat Jul 13 18:14:12 2024

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