Magnesium 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:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Maltotriose-Complex of Pula-G680L Mutant From Klebsiella Pneumoniae, PDB code: 6j4h:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1112 b:20.4 occ:1.00 O A:ASP1003 2.0 20.6 1.0 O A:HOH1297 2.1 20.1 1.0 OD2 A:ASP994 2.1 19.9 1.0 OE1 A:GLN1070 2.1 22.3 1.0 O A:VAL1006 2.1 17.5 1.0 OG A:SER1001 2.2 18.9 1.0 C A:ASP1003 3.1 18.9 1.0 CG A:ASP994 3.2 22.2 1.0 CD A:GLN1070 3.2 26.1 1.0 C A:VAL1006 3.3 18.3 1.0 CB A:SER1001 3.3 22.1 1.0 NE2 A:GLN1070 3.8 25.6 1.0 N A:ASP1003 3.8 19.3 1.0 CB A:ASP994 3.9 18.2 1.0 CA A:ASP1003 3.9 22.1 1.0 CA A:SER1001 4.0 19.1 1.0 N A:VAL1006 4.1 20.3 1.0 N A:SER1004 4.1 20.2 1.0 N A:ASP1007 4.1 17.6 1.0 OD1 A:ASP994 4.2 18.8 1.0 OD1 A:ASP1007 4.2 20.7 1.0 O A:ASP994 4.2 19.4 1.0 O A:HOH1239 4.2 28.6 1.0 CA A:SER1004 4.2 19.1 1.0 CA A:ASP1007 4.2 19.0 1.0 CB A:ASP1003 4.3 21.2 1.0 CA A:VAL1006 4.3 22.6 1.0 CG A:GLN1070 4.4 21.7 1.0 C A:SER1004 4.4 21.2 1.0 C A:SER1001 4.5 23.5 1.0 N A:LEU1002 4.5 18.4 1.0 CB A:GLN1070 4.6 20.8 1.0 N A:ARG1005 4.8 18.8 1.0 O A:SER1004 4.8 20.5 1.0 CG2 A:VAL1006 4.9 21.1 1.0 C A:ASP994 5.0 20.9 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1113 b:11.6 occ:1.00 OD1 A:ASP481 2.1 15.7 1.0 OE2 A:GLU487 2.2 15.1 1.0 O A:HOH1280 2.2 15.3 1.0 O A:LEU482 2.2 16.0 1.0 OE2 A:GLU568 2.3 15.5 1.0 O A:HOH1554 2.3 15.4 1.0 CD A:GLU568 3.2 15.8 1.0 CD A:GLU487 3.2 16.4 1.0 CG A:ASP481 3.3 14.8 1.0 OE1 A:GLU568 3.4 16.1 1.0 C A:LEU482 3.4 14.1 1.0 N A:LEU482 3.7 14.9 1.0 CG A:GLU487 3.8 16.6 1.0 OG A:SER388 4.0 14.7 1.0 OD2 A:ASP481 4.1 15.3 1.0 C A:ASP481 4.1 13.3 1.0 OE1 A:GLU487 4.1 16.6 1.0 CA A:LEU482 4.2 14.2 1.0 CA A:ASP481 4.3 12.1 1.0 O A:HOH1307 4.3 15.6 1.0 N A:GLY569 4.3 14.7 1.0 O A:HOH1339 4.3 19.0 1.0 CB A:ASP481 4.4 14.8 1.0 N A:ALA483 4.5 14.1 1.0 CG A:LEU482 4.5 16.7 1.0 CG A:GLU568 4.6 13.4 1.0 O A:VAL485 4.6 15.9 1.0 CA A:ALA483 4.7 14.4 1.0 CA A:GLU568 4.8 11.9 1.0 O A:ASP481 4.8 14.9 1.0 CB A:LEU482 4.9 16.1 1.0 CB A:GLU568 5.0 13.0 1.0 CD1 A:LEU482 5.0 18.9 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