Calcium in PDB 1qhp: Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex

All present enzymatic activity of Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex:
3.2.1.133;

The structure of Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex, PDB code: 1qhp was solved by Z.Dauter, M.Dauter, A.M.Brzozowski, S.Christensen, T.V.Borchert, L.Beier, K.S.Wilson, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.760, 89.760, 185.710, 90.00, 90.00, 120.00
R / Rfree (%)	15.3 / 19.1

The binding sites of Calcium atom in the Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex (pdb code 1qhp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex, PDB code: 1qhp:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca696 b:13.0 occ:1.00 OD1 A:ASP79 2.5 12.4 1.0 OD1 A:ASP76 2.5 13.1 1.0 OE1 A:GLU101 2.5 12.2 1.0 O A:HOH1318 2.6 12.1 1.0 O A:ASN77 2.6 11.6 1.0 OE2 A:GLU102 2.6 16.0 1.0 OE1 A:GLU102 2.7 14.6 1.0 CD A:GLU102 3.0 16.2 1.0 OE2 A:GLU101 3.1 12.5 1.0 CD A:GLU101 3.2 13.0 1.0 N A:ASN77 3.6 11.2 1.0 C A:ASN77 3.7 11.7 1.0 CG A:ASP79 3.7 16.1 1.0 CG A:ASP76 3.7 13.9 1.0 NZ A:LYS31 3.8 14.3 1.0 CA A:ASN77 4.2 10.3 1.0 O A:LEU78 4.2 11.8 1.0 OD2 A:ASP79 4.2 12.7 1.0 C A:ASP76 4.3 11.6 1.0 C A:LEU78 4.4 10.9 1.0 OD2 A:ASP76 4.4 13.7 1.0 CA A:ASP76 4.5 11.4 1.0 CG A:GLU102 4.5 13.8 1.0 CA A:ASP79 4.5 12.0 1.0 CD A:ARG95 4.5 13.8 1.0 CB A:SER32 4.5 13.3 1.0 OG A:SER32 4.6 14.1 1.0 N A:ASP79 4.6 12.3 1.0 N A:GLU102 4.6 13.1 1.0 CG A:GLU101 4.6 11.2 1.0 OH A:TYR46 4.7 11.9 1.0 CB A:ASP76 4.7 10.5 1.0 CB A:ASP79 4.7 12.8 1.0 N A:LEU78 4.8 12.1 1.0 CB A:ASN77 4.8 8.4 1.0 CA A:GLU101 4.9 11.8 1.0 ND1 A:HIS103 4.9 14.6 1.0 O A:HOH1427 5.0 17.9 1.0

Calcium binding site 2 out of 3 in the Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca697 b:11.6 occ:1.00 O A:HIS232 2.5 9.9 1.0 OD1 A:ASN131 2.5 9.3 1.0 O A:HOH1305 2.5 11.2 1.0 O A:HOH1303 2.5 11.1 1.0 O A:GLN184 2.6 11.2 1.0 O A:HOH1298 2.6 11.0 1.0 OD2 A:ASP198 2.6 12.3 1.0 OD1 A:ASP198 2.6 12.4 1.0 CG A:ASP198 3.0 14.4 1.0 CG A:ASN131 3.6 11.0 1.0 C A:GLN184 3.6 11.2 1.0 C A:HIS232 3.7 12.4 1.0 ND2 A:ASN131 4.0 10.7 1.0 CA A:GLN184 4.1 10.5 1.0 CA A:PHE233 4.2 11.7 1.0 O A:ASN131 4.3 11.2 1.0 CB A:PHE233 4.3 10.8 1.0 ND1 A:HIS169 4.4 12.3 1.0 N A:PHE233 4.4 10.6 1.0 CB A:ASP198 4.5 12.6 1.0 CE1 A:HIS169 4.5 12.6 1.0 O A:LYS186 4.5 13.5 1.0 CB A:HIS232 4.6 10.1 1.0 O A:ALA183 4.6 10.4 1.0 N A:TRP185 4.6 11.7 1.0 O A:LEU199 4.6 12.9 1.0 CA A:HIS232 4.6 10.9 1.0 OE1 A:GLN201 4.7 12.2 1.0 CB A:ASN131 4.8 10.9 1.0 NE2 A:GLN201 4.9 10.5 1.0 CA A:TRP185 4.9 11.1 1.0 O A:HOH1316 4.9 11.9 1.0

Calcium binding site 3 out of 3 in the Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Five-Domain Alpha-Amylase From Bacillus Stearothermophilus, Maltose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca698 b:14.2 occ:1.00 OD1 A:ASN27 2.5 15.2 1.0 OD2 A:ASP50 2.5 12.5 1.0 OD1 A:ASP21 2.5 13.2 1.0 O A:GLY48 2.6 12.9 1.0 OD1 A:ASN26 2.6 14.6 1.0 O A:ASP23 2.6 14.1 1.0 O A:HOH1344 2.6 13.2 1.0 CG A:ASP21 3.5 18.9 1.0 CG A:ASP50 3.5 12.5 1.0 C A:ASP23 3.6 15.5 1.0 C A:GLY48 3.7 13.2 1.0 CG A:ASN27 3.7 18.0 1.0 CG A:ASN26 3.7 15.4 1.0 CB A:ASP50 4.0 11.3 1.0 OD2 A:ASP21 4.0 16.8 1.0 CA A:GLY48 4.1 12.8 1.0 ND2 A:ASN26 4.2 15.2 1.0 N A:ASN27 4.2 15.0 1.0 CA A:THR24 4.3 15.5 1.0 O A:HIS103 4.3 13.3 1.0 ND2 A:ASN27 4.3 15.7 1.0 N A:ASP23 4.3 15.5 1.0 N A:THR24 4.3 15.3 1.0 CB A:ASP21 4.4 16.7 1.0 CA A:ASP23 4.4 16.0 1.0 CA A:ASN27 4.4 14.2 1.0 C A:ASN26 4.4 14.9 1.0 OD1 A:ASP50 4.5 13.7 1.0 CA A:ASP21 4.5 14.5 1.0 N A:ASN26 4.6 15.0 1.0 C A:GLY49 4.7 12.2 1.0 CB A:ASN27 4.7 14.5 1.0 C A:THR24 4.7 17.1 1.0 CB A:ASP23 4.7 14.4 1.0 N A:GLY49 4.7 13.9 1.0 O A:HOH1301 4.7 11.1 1.0 N A:ASP50 4.8 12.4 1.0 O A:GLY49 4.8 13.3 1.0 O A:ASN26 4.9 14.2 1.0 C A:ASP21 4.9 15.5 1.0 CB A:ASN26 4.9 14.0 1.0 CA A:ASN26 4.9 14.3 1.0 N A:GLY22 4.9 13.2 1.0 O A:THR24 4.9 17.7 1.0

Z.Dauter, M.Dauter, A.M.Brzozowski, S.Christensen, T.V.Borchert, L.Beier, K.S.Wilson, G.J.Davies. X-Ray Structure of Novamyl, the Five-Domain "Maltogenic" Alpha-Amylase From Bacillus Stearothermophilus: Maltose and Acarbose Complexes at 1.7A Resolution. Biochemistry V. 38 8385 1999.
ISSN: ISSN 0006-2960
PubMed: 10387084
DOI: 10.1021/BI990256L