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Zinc 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:

Calcium (Ca) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Structure of AACEL9A in Complex with Cellotriose-Like Isofagomine, PDB code: 3rx5:

Zinc binding site 1 out of 1 in 3rx5

Go back to Zinc Binding Sites List in 3rx5
Zinc 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 Zinc with other atoms in the Zn 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:Zn539

b:17.2
occ:1.00
 NE2 A:HIS142 2.1 14.0 1.0
ND1 A:HIS122 2.1 18.0 1.0
SG A:CYS121 2.3 19.5 1.0
SG A:CYS104 2.3 14.8 1.0
CE1 A:HIS122 3.0 16.9 1.0
CD2 A:HIS142 3.1 13.8 1.0
CE1 A:HIS142 3.1 14.0 1.0
CG A:HIS122 3.2 16.4 1.0
CB A:CYS104 3.2 11.6 1.0
CB A:CYS121 3.4 15.9 1.0
CA A:CYS104 3.5 12.9 1.0
CB A:HIS122 3.5 14.6 1.0
O A:CYS121 3.7 14.2 1.0
C A:CYS121 3.7 16.6 1.0
N A:GLY105 4.0 15.7 1.0
N A:HIS122 4.1 14.2 1.0
CA A:CYS121 4.2 16.1 1.0
CG A:HIS142 4.2 13.0 1.0
ND1 A:HIS142 4.2 15.3 1.0
NE2 A:HIS122 4.2 16.9 1.0
C A:CYS104 4.2 17.5 1.0
CD2 A:HIS122 4.3 17.2 1.0
CA A:HIS122 4.5 14.6 1.0
N A:CYS104 4.7 13.3 1.0
N A:CYS121 4.8 17.9 1.0
O A:HOH635 4.9 14.6 1.0
O A:LEU103 5.0 14.6 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 Oct 26 15:06:27 2024

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