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Calcium in PDB 1cxe: Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin

Enzymatic activity of Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin

All present enzymatic activity of Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin:
2.4.1.19;

Protein crystallography data

The structure of Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin, PDB code: 1cxe was solved by R.M.A.Knegtel, B.V.Strokopytov, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 121.388, 111.604, 66.386, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin (pdb code 1cxe). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin, PDB code: 1cxe:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1cxe

Go back to Calcium Binding Sites List in 1cxe
Calcium binding site 1 out of 2 in the Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca689

b:23.4
occ:1.00
 OD1 A:ASN33 2.2 33.4 1.0
OD1 A:ASP27 2.4 32.5 1.0
OD2 A:ASP53 2.4 22.2 1.0
OD1 A:ASN32 2.4 26.7 1.0
O A:ASN29 2.5 26.8 1.0
O A:GLY51 2.6 22.6 1.0
O A:HOH780 2.6 22.4 1.0
CG A:ASP27 3.3 31.2 1.0
CG A:ASP53 3.4 25.3 1.0
CG A:ASN33 3.4 29.6 1.0
C A:ASN29 3.4 27.8 1.0
CG A:ASN32 3.5 29.1 1.0
C A:GLY51 3.6 23.3 1.0
OD2 A:ASP27 3.8 29.7 1.0
CB A:ASP53 3.9 20.5 1.0
N A:ASN33 4.1 21.8 1.0
CA A:GLY51 4.1 17.2 1.0
ND2 A:ASN32 4.1 20.7 1.0
ND2 A:ASN33 4.2 25.7 1.0
N A:ASN29 4.2 23.7 1.0
N A:PRO30 4.2 25.4 1.0
CA A:ASN29 4.3 21.6 1.0
CA A:PRO30 4.3 25.1 1.0
O A:ALA111 4.3 22.9 1.0
CA A:ASN33 4.4 20.3 1.0
CB A:ASP27 4.4 24.6 1.0
OD1 A:ASP53 4.4 23.3 1.0
C A:ASN32 4.4 26.9 1.0
CB A:ASN33 4.5 17.6 1.0
CA A:ASP27 4.5 23.2 1.0
N A:ASN32 4.7 30.2 1.0
C A:GLY52 4.7 19.5 1.0
CB A:ASN29 4.7 23.9 1.0
N A:GLY52 4.7 22.0 1.0
C A:PRO30 4.7 27.2 1.0
CB A:ASN32 4.8 21.7 1.0
N A:ASP53 4.8 17.1 1.0
CA A:ASN32 4.8 25.0 1.0
O A:GLY52 4.8 17.5 1.0
N A:GLY28 4.9 24.6 1.0
C A:ASP27 4.9 25.7 1.0
O A:ASN32 4.9 27.6 1.0

Calcium binding site 2 out of 2 in 1cxe

Go back to Calcium Binding Sites List in 1cxe
Calcium binding site 2 out of 2 in the Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex of Cgtase with Maltotetraose at Room Temperature and pH 9.1 Based on Diffraction Data of A Crystal Soaked with Alpha-Cyclodextrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca690

b:17.9
occ:1.00
 OD1 A:ASN139 2.3 21.3 1.0
O A:HIS233 2.5 19.4 1.0
O A:HOH698 2.5 13.8 1.0
OD1 A:ASP199 2.5 18.5 1.0
OD2 A:ASP199 2.6 14.6 1.0
O A:HOH709 2.6 17.9 1.0
O A:ILE190 2.6 18.1 1.0
CG A:ASP199 2.9 18.7 1.0
CG A:ASN139 3.5 22.6 1.0
C A:HIS233 3.7 19.6 1.0
C A:ILE190 3.8 17.2 1.0
ND2 A:ASN139 4.1 16.0 1.0
CA A:ILE190 4.3 13.0 1.0
O A:ASN139 4.3 15.6 1.0
CB A:HIS233 4.4 12.1 1.0
CB A:ASP199 4.4 16.7 1.0
O A:LYS192 4.5 22.4 1.0
CA A:MET234 4.5 12.2 1.0
N A:MET234 4.5 14.7 1.0
O A:HOH752 4.6 21.4 1.0
CA A:HIS233 4.6 11.6 1.0
CG A:MET234 4.6 16.3 1.0
O A:GLY189 4.6 13.9 1.0
CB A:ASN139 4.7 11.7 1.0
O A:LEU200 4.8 21.1 1.0
CG2 A:ILE190 4.9 14.6 1.0
ND1 A:HIS176 4.9 16.8 1.0
N A:TYR191 4.9 13.8 1.0

Reference:

R.M.Knegtel, B.Strokopytov, D.Penninga, O.G.Faber, H.J.Rozeboom, K.H.Kalk, L.Dijkhuizen, B.W.Dijkstra. Crystallographic Studies of the Interaction of Cyclodextrin Glycosyltransferase From Bacillus Circulans Strain 251 with Natural Substrates and Products. J.Biol.Chem. V. 270 29256 1995.
ISSN: ISSN 0021-9258
PubMed: 7493956
DOI: 10.1074/JBC.270.49.29256
Page generated: Thu Jul 11 07:14:19 2024

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