Atomistry » Calcium » PDB 1ck6-1cxi » 1cxf
Atomistry »
  Calcium »
    PDB 1ck6-1cxi »
      1cxf »

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: Thu Jul 11 07:14:19 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy