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: Sat Dec 12 07:42:01 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy