Arsenic in the structure of Crystal Structure of the Native Endo Beta-1,3-Glucanase (Hev B 2), A Major Allergen From Hevea Brasiliensis (Space Group P41) (pdb 3f55)

The binding sites of Arsenic atom in the structure of Crystal Structure of the Native Endo Beta-1,3-Glucanase (Hev B 2), A Major Allergen From Hevea Brasiliensis (Space Group P41) (pdb code 3f55). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom.
The 3f55 structure was solved by D.FUENTES-SILVA, A.RODRIGUEZ-ROMERO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)47.5-2.8
Space groupP41
a (A)150.059
b (A)150.059
c (A)77.363
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)21.8
Rfree (%)25.5

Arsenic Binding Sites:

Arsenic binding site 1 out of 2 in 3f55


Arsenic binding site 1 out of 2 in 3f55
Click to enlarge
stereopicture of Arsenic binding site 1 out of 2 in 3f55
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3f55. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Tyr144, A: Cac339,

conact list:


AtomAtomDistance (A)
AsCE2 A:Tyr1444.90
AsCD1 A:Tyr1444.87
AsCD2 A:Tyr1444.68
AsCG A:Tyr1444.67
AsO1 A:Cac3391.68
AsO2 A:Cac3391.63
AsAS A:Cac3390.00
AsC2 A:Cac3391.78
AsC1 A:Cac3391.95

interactive model:


Arsenic binding site 2 out of 2 in 3f55


Arsenic binding site 2 out of 2 in 3f55
Click to enlarge
stereopicture of Arsenic binding site 2 out of 2 in 3f55
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3f55. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: C: Tyr144, C: Cac339,

conact list:


AtomAtomDistance (A)
AsCB C:Tyr1444.98
AsCE2 C:Tyr1444.45
AsCD2 C:Tyr1444.18
AsCG C:Tyr1444.54
AsO1 C:Cac3391.68
AsO2 C:Cac3391.63
AsAS C:Cac3390.00
AsC2 C:Cac3391.78
AsC1 C:Cac3391.97

interactive model:




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