Calcium in PDB 9us3: Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase

All present enzymatic activity of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase:
3.2.1.98;

The structure of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase, PDB code: 9us3 was solved by Z.Fujimoto, N.Kishine, M.Momma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.68 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.726, 107.839, 82.361, 90, 97.35, 90
R / Rfree (%)	18.8 / 21.7

The binding sites of Calcium atom in the Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase (pdb code 9us3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase, PDB code: 9us3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:12.2 occ:1.00 O A:GLY225 2.3 11.8 1.0 OD1 A:ASP207 2.3 13.2 1.0 OD2 A:ASP227 2.4 12.3 1.0 O A:ASN203 2.4 14.7 1.0 OD1 A:ASN206 2.4 13.8 1.0 OD1 A:ASN201 2.5 12.8 1.0 O A:HOH898 2.5 13.1 1.0 C A:ASN203 3.4 14.9 1.0 CG A:ASN201 3.4 13.2 1.0 C A:GLY225 3.4 12.1 1.0 CG A:ASP227 3.4 12.6 1.0 CG A:ASN206 3.5 13.9 1.0 CG A:ASP207 3.6 13.4 1.0 CA A:GLY225 3.9 12.1 1.0 CB A:ASP227 3.9 12.8 1.0 ND2 A:ASN201 4.0 13.3 1.0 N A:ASN203 4.1 14.7 1.0 ND2 A:ASN206 4.1 14.0 1.0 N A:PRO204 4.1 15.0 1.0 CA A:PRO204 4.2 15.1 1.0 N A:ASP207 4.2 13.8 1.0 CA A:ASN203 4.2 14.9 1.0 OD2 A:ASP207 4.3 13.5 1.0 O A:ASN286 4.4 12.7 1.0 CA A:ASP207 4.4 13.7 1.0 CB A:ASN201 4.5 13.1 1.0 C A:ASN206 4.5 14.0 1.0 CA A:ASN201 4.5 13.1 1.0 OD1 A:ASP227 4.5 12.5 1.0 N A:GLY226 4.6 12.3 1.0 C A:PRO204 4.6 14.9 1.0 CB A:ASP207 4.6 13.6 1.0 C A:GLY226 4.7 12.6 1.0 N A:ASN206 4.7 14.3 1.0 CB A:ASN206 4.8 14.0 1.0 CB A:ASN203 4.8 15.0 1.0 N A:GLY202 4.8 13.6 1.0 N A:ASP227 4.8 12.7 1.0 O A:PRO204 4.8 14.9 1.0 C A:ASN201 4.8 13.3 1.0 CA A:ASN206 4.9 14.1 1.0 O A:GLY226 4.9 12.7 1.0 O A:ASN206 4.9 13.9 1.0 CA A:GLY226 5.0 12.4 1.0 O A:HOH864 5.0 13.4 1.0 CA A:ASP227 5.0 12.8 1.0

Calcium binding site 2 out of 4 in the Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:13.3 occ:1.00 O A:HOH826 2.3 12.3 1.0 O A:HIS464 2.3 15.7 1.0 OD1 A:ASN314 2.4 14.1 1.0 O A:HOH810 2.5 17.3 1.0 O A:HOH1056 2.5 16.9 1.0 O A:LEU397 2.5 17.3 1.0 OD1 A:ASP406 2.5 16.4 1.0 OD2 A:ASP406 2.6 15.9 1.0 CG A:ASP406 2.9 16.1 1.0 C A:LEU397 3.5 17.6 1.0 C A:HIS464 3.5 16.0 1.0 CG A:ASN314 3.5 14.3 1.0 O A:ASN314 4.2 13.7 1.0 CB A:HIS464 4.2 16.2 1.0 ND2 A:ASN314 4.3 14.3 1.0 CB A:ASP406 4.4 16.0 1.0 CA A:LEU397 4.4 18.0 1.0 CA A:HIS464 4.4 16.2 1.0 NH1 A:ARG383 4.4 17.5 1.0 CG2 A:VAL465 4.4 15.8 1.0 N A:THR398 4.4 17.3 1.0 O A:MET399 4.4 17.1 1.0 O A:LEU407 4.5 15.9 1.0 N A:VAL465 4.5 15.8 1.0 O A:ASP396 4.5 18.9 1.0 CA A:THR398 4.6 17.3 1.0 CB A:ASN314 4.6 14.1 1.0 CA A:ASN314 4.6 14.1 1.0 CA A:VAL465 4.7 16.0 1.0 C A:ASN314 4.8 13.9 1.0 O A:HOH882 4.9 15.5 1.0 CA A:ASP406 5.0 15.9 1.0

Calcium binding site 3 out of 4 in the Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:16.6 occ:1.00 O B:GLY225 2.3 17.2 1.0 OD1 B:ASP207 2.3 17.7 1.0 OD2 B:ASP227 2.4 15.9 1.0 OD1 B:ASN206 2.4 17.8 1.0 O B:ASN203 2.4 16.3 1.0 O B:HOH909 2.5 15.2 1.0 OD1 B:ASN201 2.5 16.7 1.0 C B:ASN203 3.4 16.8 1.0 CG B:ASN201 3.4 17.0 1.0 C B:GLY225 3.4 16.9 1.0 CG B:ASP227 3.4 16.3 1.0 CG B:ASN206 3.5 17.7 1.0 CG B:ASP207 3.6 17.9 1.0 CA B:GLY225 3.9 17.0 1.0 ND2 B:ASN201 3.9 16.9 1.0 CB B:ASP227 4.0 16.5 1.0 ND2 B:ASN206 4.1 17.8 1.0 N B:ASN203 4.1 17.1 1.0 N B:PRO204 4.2 16.9 1.0 N B:ASP207 4.2 17.9 1.0 CA B:PRO204 4.2 17.0 1.0 CA B:ASN203 4.3 17.0 1.0 OD2 B:ASP207 4.3 18.3 1.0 CA B:ASP207 4.4 18.3 1.0 O B:ASN286 4.4 17.9 1.0 C B:ASN206 4.4 17.5 1.0 CB B:ASN201 4.5 17.0 1.0 OD1 B:ASP227 4.5 16.1 1.0 CA B:ASN201 4.5 17.1 1.0 N B:GLY226 4.5 16.8 1.0 CB B:ASP207 4.6 18.1 1.0 C B:PRO204 4.6 16.8 1.0 N B:ASN206 4.6 17.1 1.0 C B:GLY226 4.7 17.0 1.0 CB B:ASN206 4.7 17.4 1.0 N B:ASP227 4.8 17.0 1.0 CB B:ASN203 4.8 17.1 1.0 CA B:ASN206 4.8 17.4 1.0 O B:PRO204 4.8 16.8 1.0 N B:GLY202 4.9 17.1 1.0 C B:ASN201 4.9 17.1 1.0 O B:GLY226 4.9 17.5 1.0 O B:ASN206 4.9 17.5 1.0 O B:HOH882 4.9 17.3 1.0 CA B:GLY226 5.0 16.9 1.0

Calcium binding site 4 out of 4 in the Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca702 b:17.8 occ:1.00 O B:HIS464 2.3 20.1 1.0 O B:LEU397 2.4 21.3 1.0 O B:HOH814 2.4 16.2 1.0 O B:HOH920 2.4 15.0 1.0 OD1 B:ASN314 2.4 18.4 1.0 O B:HOH825 2.5 14.2 1.0 OD1 B:ASP406 2.5 19.8 1.0 OD2 B:ASP406 2.7 20.9 1.0 CG B:ASP406 2.9 20.6 1.0 C B:LEU397 3.5 21.6 1.0 C B:HIS464 3.5 20.4 1.0 CG B:ASN314 3.6 18.3 1.0 O B:ASN314 4.2 18.1 1.0 CB B:HIS464 4.2 20.2 1.0 CA B:LEU397 4.2 21.8 1.0 ND2 B:ASN314 4.3 18.2 1.0 NH1 B:ARG383 4.3 20.9 1.0 CA B:HIS464 4.3 20.5 1.0 O B:MET399 4.3 19.9 1.0 N B:THR398 4.4 21.2 1.0 O B:ASP396 4.4 21.5 1.0 CB B:ASP406 4.4 20.6 1.0 N B:VAL465 4.5 20.9 1.0 CG2 B:VAL465 4.5 21.4 1.0 O B:LEU407 4.6 21.2 1.0 CA B:THR398 4.6 21.1 1.0 CA B:VAL465 4.7 21.4 1.0 CB B:ASN314 4.7 18.2 1.0 CA B:ASN314 4.7 18.3 1.0 C B:ASN314 4.9 18.0 1.0 O B:HOH1013 5.0 18.5 1.0 O B:HOH967 5.0 18.7 1.0 C B:THR398 5.0 20.6 1.0

Z.Fujimoto, N.Kishine, M.Momma. Crystal Structure of Klebsiella Pneumoniae Maltohexaose-Producing Alpha-Amylase. J.Biochem. 2025.
ISSN: ISSN 0021-924X
PubMed: 40576559
DOI: 10.1093/JB/MVAF034