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Calcium in PDB 1cxf: Complex of A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin

Enzymatic activity of Complex of A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin

All present enzymatic activity of Complex of A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin:
2.4.1.19;

Protein crystallography data

The structure of Complex of A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin, PDB code: 1cxf 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 (°) 116.840, 110.000, 67.420, 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 A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin (pdb code 1cxf). 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 A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin, PDB code: 1cxf:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1cxf

Go back to Calcium Binding Sites List in 1cxf
Calcium binding site 1 out of 2 in the Complex of A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal 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 A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca690

b:12.3
occ:1.00
 OD1 A:ASN32 2.1 7.9 1.0
O A:HOH752 2.2 1.0 1.0
OD1 A:ASN33 2.3 16.3 1.0
OD1 A:ASP27 2.3 23.2 1.0
OD2 A:ASP53 2.4 13.6 1.0
O A:GLY51 2.5 7.2 1.0
O A:ASN29 2.6 4.9 1.0
CG A:ASP27 3.2 22.4 1.0
CG A:ASN32 3.3 13.7 1.0
C A:ASN29 3.5 5.8 1.0
CG A:ASP53 3.5 10.8 1.0
C A:GLY51 3.5 8.6 1.0
CG A:ASN33 3.5 25.7 1.0
N A:ASN33 3.7 5.7 1.0
OD2 A:ASP27 3.8 28.6 1.0
CA A:GLY51 3.9 6.9 1.0
ND2 A:ASN32 3.9 3.3 1.0
C A:ASN32 4.1 9.6 1.0
O A:ALA111 4.1 9.9 1.0
CA A:ASN33 4.1 5.1 1.0
CB A:ASP53 4.1 4.5 1.0
N A:PRO30 4.2 3.3 1.0
CB A:ASP27 4.2 10.9 1.0
CA A:PRO30 4.2 2.7 1.0
N A:ASN29 4.3 2.5 1.0
CA A:ASN29 4.3 1.9 1.0
CB A:ASN32 4.4 3.0 1.0
CA A:ASN32 4.4 5.5 1.0
ND2 A:ASN33 4.4 21.9 1.0
CB A:ASN33 4.4 2.5 1.0
N A:ASN32 4.4 6.0 1.0
CA A:ASP27 4.5 9.2 1.0
OD1 A:ASP53 4.5 11.5 1.0
C A:PRO30 4.6 7.0 1.0
O A:HOH713 4.7 1.0 1.0
O A:ASN32 4.7 9.6 1.0
N A:GLY52 4.7 4.6 1.0
O A:GLY52 4.8 7.1 1.0
C A:GLY52 4.8 7.9 1.0
CB A:ASN29 4.8 2.8 1.0
O A:PRO30 4.9 7.1 1.0
C A:ASP27 4.9 13.8 1.0

Calcium binding site 2 out of 2 in 1cxf

Go back to Calcium Binding Sites List in 1cxf
Calcium binding site 2 out of 2 in the Complex of A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal 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 A (D229N/E257Q) Double Mutant Cgtase From Bacillus Circulans Strain 251 with Maltotetraose at 120 K and pH 9.1 Obtained After Soaking the Crystal with Alpha-Cyclodextrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca691

b:17.8
occ:1.00
 O A:HIS233 2.3 7.9 1.0
O A:ILE190 2.4 12.3 1.0
OD2 A:ASP199 2.5 11.9 1.0
O A:HOH950 2.6 8.1 1.0
OD1 A:ASP199 2.7 7.3 1.0
OD1 A:ASN139 2.7 21.7 1.0
O A:HOH854 2.8 21.8 1.0
CG A:ASP199 3.0 7.4 1.0
O A:HOH959 3.2 30.6 1.0
C A:ILE190 3.5 13.1 1.0
C A:HIS233 3.6 8.4 1.0
CG A:ASN139 3.9 23.0 1.0
CA A:ILE190 4.1 8.8 1.0
CA A:MET234 4.3 2.9 1.0
N A:MET234 4.4 4.1 1.0
O A:LYS192 4.4 10.7 1.0
CG2 A:ILE190 4.5 13.6 1.0
CB A:ASP199 4.5 4.0 1.0
ND2 A:ASN139 4.6 11.4 1.0
CA A:HIS233 4.6 5.2 1.0
CG A:MET234 4.7 7.8 1.0
O A:ASN139 4.7 12.2 1.0
N A:TYR191 4.7 9.6 1.0
CB A:HIS233 4.7 6.3 1.0
ND1 A:HIS176 4.7 12.1 1.0
O A:LEU200 4.7 8.8 1.0
O A:GLY189 4.8 12.9 1.0
CE1 A:HIS176 4.9 11.5 1.0
CB A:ILE190 5.0 11.7 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: Sat Dec 12 02:52:09 2020

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