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Calcium in PDB 6taa: Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method

Enzymatic activity of Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method

All present enzymatic activity of Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method:
3.2.1.1;

Protein crystallography data

The structure of Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method, PDB code: 6taa was solved by H.J.Swift, L.Brady, Z.S.Derewenda, E.J.Dodson, J.P.Turkenburg, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.70 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.040, 67.183, 133.560, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method (pdb code 6taa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method, PDB code: 6taa:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6taa

Go back to Calcium Binding Sites List in 6taa
Calcium binding site 1 out of 2 in the Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca479

b:15.0
occ:1.00
 O A:HOH550 2.4 7.2 1.0
O A:HOH553 2.4 20.8 1.0
OD1 A:ASN121 2.4 8.3 1.0
O A:GLU162 2.5 16.1 1.0
O A:HIS210 2.6 17.9 1.0
OD1 A:ASP175 2.7 12.2 1.0
O A:HOH525 2.7 12.4 1.0
OD2 A:ASP175 2.7 15.2 1.0
CG A:ASP175 3.0 15.2 1.0
C A:GLU162 3.5 16.6 1.0
CG A:ASN121 3.5 10.3 1.0
C A:HIS210 3.7 17.1 1.0
CB A:HIS210 4.1 13.7 1.0
CA A:GLU162 4.1 14.5 1.0
ND2 A:ASN121 4.2 8.8 1.0
O A:LEU176 4.3 18.5 1.0
O A:ASN121 4.4 12.4 1.0
CA A:HIS210 4.4 16.1 1.0
CG2 A:VAL211 4.4 19.9 1.0
N A:ASP163 4.4 18.1 1.0
O A:CYS164 4.4 17.5 1.0
N A:VAL211 4.5 17.0 1.0
CB A:ASP175 4.5 12.7 1.0
CB A:ASN121 4.7 8.0 1.0
CA A:VAL211 4.7 18.9 1.0
ND1 A:HIS147 4.7 26.3 1.0
CA A:ASP163 4.7 20.2 1.0
CE1 A:HIS147 4.9 25.4 1.0
O A:HOH557 4.9 25.2 1.0
CA A:ASN121 4.9 9.1 1.0
O A:HOH601 5.0 10.2 1.0

Calcium binding site 2 out of 2 in 6taa

Go back to Calcium Binding Sites List in 6taa
Calcium binding site 2 out of 2 in the Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca480

b:9.6
occ:0.50
 O A:HOH556 2.3 8.7 1.0
OD1 A:ASP206 2.6 8.3 1.0
OE1 A:GLU230 2.7 11.4 1.0
OE2 A:GLU230 2.9 12.8 1.0
CD A:GLU230 3.2 11.5 1.0
CG A:ASP206 3.3 10.1 1.0
OD2 A:ASP206 3.5 11.9 1.0
O A:HOH549 3.6 33.5 1.0
OD2 A:ASP297 4.0 9.4 1.0
CG2 A:THR207 4.2 7.0 1.0
NH2 A:ARG204 4.4 6.6 1.0
O A:HOH625 4.5 12.5 1.0
NH1 A:ARG204 4.5 7.1 1.0
N A:THR207 4.5 7.0 1.0
CG A:GLU230 4.6 8.2 1.0
CD1 A:LEU232 4.7 16.0 1.0
CB A:ASP206 4.7 7.4 1.0
CG A:ASP297 4.8 11.5 1.0
CZ A:ARG204 5.0 7.8 1.0

Reference:

H.J.Swift, L.Brady, Z.S.Derewenda, E.J.Dodson, G.G.Dodson, J.P.Turkenburg, A.J.Wilkinson. Structure and Molecular Model Refinement of Aspergillus Oryzae (Taka) Alpha-Amylase: An Application of the Simulated-Annealing Method. Acta Crystallogr.,Sect.B V. 47 535 1991.
ISSN: ISSN 0108-7681
PubMed: 1930835
DOI: 10.1107/S0108768191001970
Page generated: Tue Jul 16 15:13:08 2024

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