Calcium in PDB 6tp1: Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose

Enzymatic activity of Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose

All present enzymatic activity of Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose:
3.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose, PDB code: 6tp1 was solved by H.J.Rozeboom, D.B.Janssen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.26 / 1.94
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 82.080, 82.080, 186.340, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 20.1

Other elements in 6tp1:

The structure of Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose (pdb code 6tp1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose, PDB code: 6tp1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6tp1

Go back to Calcium Binding Sites List in 6tp1
Calcium binding site 1 out of 2 in the Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:16.5
occ:1.00
OD1 A:ASP200 2.3 15.2 1.0
OD1 A:ASN104 2.3 15.6 1.0
O A:ASP194 2.3 15.5 1.0
O A:HIS235 2.3 16.0 1.0
OD1 A:ASP194 2.4 16.1 1.0
O A:HOH747 2.4 14.6 1.0
CG A:ASP200 3.1 15.4 1.0
OD2 A:ASP200 3.1 15.3 1.0
C A:ASP194 3.3 16.2 1.0
CG A:ASP194 3.4 16.7 1.0
CG A:ASN104 3.4 15.4 1.0
C A:HIS235 3.5 16.0 1.0
CA A:ASP194 3.8 16.5 1.0
O A:HOH691 3.8 15.8 1.0
O A:ASN104 3.9 15.8 1.0
ND2 A:ASN104 4.0 15.3 1.0
NA A:NA503 4.0 16.7 1.0
CB A:HIS235 4.1 15.9 1.0
CB A:ASP194 4.2 16.7 1.0
OD2 A:ASP194 4.2 16.7 1.0
CA A:HIS235 4.3 16.1 1.0
N A:TYR195 4.4 16.4 1.0
O A:HOH724 4.5 15.5 1.0
N A:ILE236 4.5 15.9 1.0
CB A:ASP200 4.5 15.4 1.0
CB A:ASN104 4.6 15.2 1.0
CA A:ILE236 4.6 16.1 1.0
O A:ILE201 4.7 15.4 1.0
C A:ASN104 4.7 15.8 1.0
CA A:ASN104 4.8 15.4 1.0
CA A:TYR195 4.8 16.8 1.0
CG1 A:ILE236 4.8 15.6 1.0

Calcium binding site 2 out of 2 in 6tp1

Go back to Calcium Binding Sites List in 6tp1
Calcium binding site 2 out of 2 in the Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Bacillus Paralicheniformis Alpha-Amylase in Complex with Maltotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:17.5
occ:1.00
O A:ALA181 2.3 17.4 1.0
OD1 A:ASP183 2.4 16.4 1.0
OD1 A:ASP202 2.4 17.3 1.0
OD1 A:ASP161 2.4 16.1 1.0
OD2 A:ASP204 2.5 22.2 1.0
OD2 A:ASP161 2.5 15.7 1.0
O A:HOH891 2.5 12.8 1.0
CG A:ASP161 2.8 16.3 1.0
CG A:ASP202 3.3 17.2 1.0
CG A:ASP204 3.4 21.9 1.0
CG A:ASP183 3.4 16.6 1.0
C A:ALA181 3.5 18.2 1.0
N A:ASP183 3.9 17.1 1.0
OD2 A:ASP202 3.9 17.4 1.0
CB A:ASP204 4.0 21.4 1.0
OD2 A:ASP183 4.0 16.1 1.0
CB A:ASP202 4.1 16.8 1.0
C A:TRP182 4.2 17.2 1.0
N A:ALA181 4.2 19.2 1.0
CA A:ASP202 4.2 16.6 1.0
O A:HOH773 4.3 23.4 1.0
CB A:ASP161 4.3 16.2 1.0
N A:ASP204 4.3 19.5 1.0
CA A:ASP183 4.3 17.4 1.0
OD1 A:ASP204 4.4 22.5 1.0
CA A:ALA181 4.4 19.0 1.0
NA A:NA503 4.4 16.7 1.0
N A:TRP182 4.5 18.0 1.0
CB A:ASP183 4.5 16.8 1.0
CA A:TRP182 4.5 17.3 1.0
O A:HOH945 4.6 33.3 1.0
O A:TRP182 4.6 17.1 1.0
N A:TYR203 4.7 17.4 1.0
C A:ASP202 4.7 17.0 1.0
CA A:ASP204 4.8 20.6 1.0
OD2 A:ASP194 4.9 16.7 1.0
CB A:ALA181 4.9 19.4 1.0

Reference:

N.Bozic, H.J.Rozeboom, N.Loncar, M.S.Slavic, D.B.Janssen, Z.Vujcic. Characterization of the Starch Surface Binding Site on Bacillus Paralicheniformis Alpha-Amylase. Int.J.Biol.Macromol. V. 165 1529 2020.
ISSN: ISSN 0141-8130
PubMed: 33058974
DOI: 10.1016/J.IJBIOMAC.2020.10.025
Page generated: Sat Dec 12 07:44:41 2020

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