Calcium in PDB 1cxk: Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N

All present enzymatic activity of Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N:
2.4.1.19;

The structure of Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N, PDB code: 1cxk was solved by J.C.M.Uitdehaag, K.H.Kalk, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.09
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.124, 110.905, 67.593, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N (pdb code 1cxk). 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 Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N, PDB code: 1cxk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca688 b:14.1 occ:1.00 OD1 A:ASN33 2.2 8.8 1.0 OD2 A:ASP53 2.4 16.2 1.0 O A:HOH1067 2.4 6.4 1.0 OD1 A:ASP27 2.4 12.7 1.0 OD1 A:ASN32 2.4 10.9 1.0 O A:GLY51 2.6 13.6 1.0 O A:ASN29 2.6 15.1 1.0 CG A:ASP27 3.3 14.9 1.0 C A:ASN29 3.3 17.0 1.0 CG A:ASN33 3.5 21.4 1.0 CG A:ASP53 3.5 13.9 1.0 CG A:ASN32 3.6 15.4 1.0 C A:GLY51 3.6 14.4 1.0 CB A:ASP53 3.9 9.0 1.0 OD2 A:ASP27 4.0 19.0 1.0 N A:ASN33 4.0 11.7 1.0 N A:PRO30 4.0 16.6 1.0 CA A:GLY51 4.1 10.7 1.0 CA A:PRO30 4.1 16.0 1.0 N A:ASN29 4.1 13.4 1.0 ND2 A:ASN32 4.2 10.9 1.0 CA A:ASN29 4.2 12.3 1.0 CB A:ASP27 4.2 10.9 1.0 CA A:ASN33 4.3 11.4 1.0 ND2 A:ASN33 4.3 10.0 1.0 O A:ALA111 4.3 14.1 1.0 C A:ASN32 4.4 16.2 1.0 CA A:ASP27 4.5 9.4 1.0 CB A:ASN33 4.5 11.0 1.0 OD1 A:ASP53 4.5 8.9 1.0 C A:PRO30 4.6 18.5 1.0 N A:ASN32 4.7 13.6 1.0 CB A:ASN29 4.7 9.9 1.0 C A:GLY52 4.7 11.9 1.0 CB A:ASN32 4.8 10.7 1.0 CA A:ASN32 4.8 13.0 1.0 O A:HOH753 4.8 9.1 1.0 N A:ASP53 4.8 8.0 1.0 N A:GLY52 4.8 10.7 1.0 C A:ASP27 4.8 15.3 1.0 O A:PRO30 4.8 17.7 1.0 O A:GLY52 4.9 12.2 1.0 N A:GLY28 4.9 12.5 1.0 O A:ASN32 4.9 16.7 1.0 CA A:ASP53 5.0 8.1 1.0

Calcium binding site 2 out of 2 in the Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex Between A Maltononaose Substrate and Bacillus Circulans Strain 251 Cgtase E257Q/D229N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca689 b:28.6 occ:1.00 O A:HIS233 2.3 10.3 1.0 O A:HOH1028 2.5 1.3 1.0 O A:ILE190 2.5 8.6 1.0 OD2 A:ASP199 2.5 11.6 1.0 O A:HOH1054 2.7 11.6 1.0 OD1 A:ASP199 2.7 7.2 1.0 CG A:ASP199 3.0 8.3 1.0 O A:HOH1037 3.3 5.1 1.0 C A:HIS233 3.5 10.7 1.0 C A:ILE190 3.5 9.6 1.0 CA A:ILE190 4.1 5.2 1.0 O A:LYS192 4.2 14.9 1.0 CB A:HIS233 4.3 7.5 1.0 O A:ASN139 4.4 12.1 1.0 O A:GLY189 4.4 8.4 1.0 N A:MET234 4.4 5.7 1.0 CA A:HIS233 4.4 7.1 1.0 CB A:ASP199 4.5 6.0 1.0 CA A:MET234 4.5 3.6 1.0 CG2 A:ILE190 4.6 6.7 1.0 ND1 A:HIS176 4.7 13.5 1.0 N A:TYR191 4.7 6.8 1.0 CG A:MET234 4.8 8.2 1.0 O A:LEU200 4.8 9.0 1.0 O A:HOH770 4.9 7.1 1.0 CE1 A:HIS176 4.9 14.6 1.0 CB A:ASN139 4.9 8.7 1.0

J.C.Uitdehaag, R.Mosi, K.H.Kalk, B.A.Van Der Veen, L.Dijkhuizen, S.G.Withers, B.W.Dijkstra. X-Ray Structures Along the Reaction Pathway of Cyclodextrin Glycosyltransferase Elucidate Catalysis in the Alpha-Amylase Family. Nat.Struct.Biol. V. 6 432 1999.
ISSN: ISSN 1072-8368
PubMed: 10331869
DOI: 10.1038/8235