Calcium in PDB 6j4h: Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae

The structure of Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae, PDB code: 6j4h was solved by N.Saka, H.Iwamoto, N.Takahashi, K.Mizutani, B.Mikami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.25 / 1.64
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	148.943, 60.103, 133.962, 90.00, 114.66, 90.00
R / Rfree (%)	16.5 / 18.4

The structure of Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae (pdb code 6j4h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae, PDB code: 6j4h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1107 b:42.6 occ:1.00 O A:HOH1204 2.2 31.9 1.0 O A:HOH1228 2.2 31.3 1.0 O A:HOH1919 2.3 32.7 1.0 O A:HOH1224 2.3 32.0 1.0 O A:HOH1213 2.3 27.5 1.0 O A:HOH1959 2.3 34.7 1.0 OE1 A:GLU639 4.0 28.0 1.0 NE A:ARG715 4.1 25.1 1.0 OD2 A:ASP714 4.1 36.7 1.0 OE1 A:GLN712 4.1 34.5 1.0 OE1 A:GLU633 4.1 30.9 1.0 NH2 A:ARG715 4.2 27.4 1.0 OE2 A:GLU639 4.2 30.2 1.0 OD1 A:ASP714 4.2 42.0 1.0 NE2 A:GLN712 4.4 36.6 1.0 OE2 A:GLU633 4.4 32.3 1.0 O A:ASN711 4.5 47.1 1.0 CD A:GLU639 4.6 27.9 1.0 CG A:ASP714 4.6 35.2 1.0 CD A:GLN712 4.6 40.0 1.0 CZ A:ARG715 4.6 25.7 1.0 CD A:GLU633 4.6 29.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1108 b:17.7 occ:1.00 OD1 A:ASP893 2.3 22.2 1.0 O A:TYR555 2.4 15.3 1.0 O A:HOH1673 2.4 20.7 1.0 O A:HOH1440 2.4 18.9 1.0 OD1 A:ASP553 2.4 16.1 1.0 O A:ALA550 2.5 17.3 1.0 O A:HOH1443 2.5 17.1 1.0 CG A:ASP553 3.5 17.8 1.0 C A:ALA550 3.5 18.4 1.0 C A:TYR555 3.5 13.6 1.0 CG A:ASP893 3.5 23.1 1.0 OD2 A:ASP553 3.9 16.8 1.0 CA A:ALA550 3.9 14.6 1.0 OD2 A:ASP893 4.1 26.1 1.0 N A:TYR555 4.1 14.4 1.0 O A:HOH1278 4.2 38.9 1.0 CA A:TYR555 4.2 11.8 1.0 CB A:ALA550 4.2 17.2 1.0 CB A:TYR555 4.4 12.6 1.0 O A:ASP553 4.5 17.2 1.0 N A:ASN556 4.6 12.9 1.0 ND2 A:ASN556 4.6 15.8 1.0 N A:ASP553 4.7 14.6 1.0 O A:ASP893 4.7 16.1 1.0 N A:GLN551 4.7 15.2 1.0 CB A:ASP893 4.7 15.1 1.0 O A:THR484 4.7 20.3 1.0 C A:ASP553 4.7 16.7 1.0 CA A:ASP893 4.8 14.8 1.0 CB A:ASN556 4.8 13.3 1.0 CB A:ASP553 4.8 15.0 1.0 O A:HOH1686 4.8 25.6 1.0 CA A:ASN556 4.9 12.1 1.0 CA A:ASP553 5.0 13.3 1.0

N.Saka, D.Malle, H.Iwamoto, N.Takahashi, K.Mizutani, B.Mikami. Relationship Between the Induced-Fit Loop and the Activity of Klebsiella Pneumoniae Pullulanase. Acta Crystallogr D Struct V. 75 792 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31478902
DOI: 10.1107/S2059798319010660