Calcium in PDB 1qlg: Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens

All present enzymatic activity of Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens:
3.1.3.8;

The structure of Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens, PDB code: 1qlg was solved by S.Shin, N.-C.Ha, B.-H.Oh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.0 / 2.2
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.060, 64.040, 105.690, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 26.5

The structure of Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens (pdb code 1qlg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens, PDB code: 1qlg:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens


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 Phytase with Magnesium From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:21.5 occ:1.00 OD1 A:ASP308 2.5 12.2 1.0 OD1 A:ASP341 2.6 31.1 1.0 OE1 A:GLU43 2.7 12.6 1.0 O A:ILE340 2.7 24.3 1.0 OE2 A:GLU43 2.7 16.7 1.0 OD1 A:ASN339 2.8 20.3 1.0 CD A:GLU43 3.0 12.5 1.0 O A:HOH2002 3.1 42.4 1.0 CG A:ASP308 3.4 16.7 1.0 C A:ILE340 3.5 21.8 1.0 CG A:ASP341 3.5 28.6 1.0 CG A:ASN339 3.8 17.2 1.0 OD2 A:ASP308 4.0 15.8 1.0 CA A:ASP341 4.0 29.4 1.0 N A:ASP341 4.1 26.2 1.0 NZ A:LYS351 4.2 3.5 1.0 N A:ILE340 4.2 17.9 1.0 ND2 A:ASN339 4.2 19.1 1.0 OD2 A:ASP341 4.3 28.6 1.0 CB A:ASP308 4.3 13.1 1.0 CB A:ASP341 4.4 28.4 1.0 N A:ASP308 4.4 14.0 1.0 CA A:ILE340 4.5 19.5 1.0 CG A:GLU43 4.5 12.7 1.0 CE A:LYS351 4.7 2.0 1.0 OD1 A:ASN349 4.7 19.4 1.0 C A:ASN339 5.0 16.9 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens


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 Phytase with Magnesium From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:48.9 occ:1.00 O A:GLU338 2.5 25.5 1.0 O A:GLY309 2.5 22.2 1.0 O A:HOH2031 2.7 45.6 1.0 OD2 A:ASP308 2.8 15.8 1.0 O A:HOH2015 2.9 61.8 1.0 OD1 A:ASN336 2.9 9.2 1.0 ND2 A:ASN336 3.3 2.0 1.0 C A:GLY309 3.3 15.9 1.0 CG A:ASN336 3.5 4.3 1.0 C A:GLU338 3.6 21.4 1.0 CG A:ASP308 3.8 16.7 1.0 CA A:THR310 3.9 11.4 1.0 N A:THR310 3.9 13.2 1.0 N A:GLY309 4.1 15.8 1.0 CA A:GLY309 4.2 15.1 1.0 OG A:SER311 4.2 14.6 1.0 C A:THR310 4.3 12.2 1.0 CB A:ASP308 4.4 13.1 1.0 N A:ASN339 4.5 20.5 1.0 CA A:ASN339 4.5 16.9 1.0 CB A:GLU338 4.5 26.4 1.0 C A:ASP308 4.5 15.1 1.0 CA A:GLU338 4.5 22.0 1.0 N A:SER311 4.5 15.5 1.0 OD1 A:ASP308 4.6 12.2 1.0 CD1 A:ILE340 4.6 29.1 1.0 N A:ILE340 4.7 17.9 1.0 NZ A:LYS351 4.8 3.5 1.0 N A:GLU338 4.8 18.9 1.0 O A:ASP308 4.9 10.2 1.0 CB A:ASN336 5.0 11.0 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Phytase with Magnesium From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:28.7 occ:1.00 OD2 A:ASP56 2.6 15.5 1.0 O A:VAL101 2.6 18.6 1.0 O A:HOH2007 2.7 16.5 1.0 O A:HOH2033 2.8 30.3 1.0 O A:HOH2017 2.8 15.3 1.0 O A:PRO57 2.9 7.7 1.0 CG A:ASP56 3.4 12.7 1.0 OD1 A:ASP56 3.5 18.1 1.0 C A:VAL101 3.8 11.7 1.0 C A:PRO57 4.0 6.7 1.0 O A:HOH2003 4.3 21.7 1.0 CA A:ASP102 4.3 4.8 1.0 N A:ASP102 4.5 10.1 1.0 O A:HOH2023 4.6 34.9 1.0 O A:ILE316 4.6 14.0 1.0 CG A:ASP317 4.6 6.1 1.0 CB A:ASP102 4.6 2.5 1.0 CA A:ALA58 4.7 6.2 1.0 CB A:ALA58 4.7 7.3 1.0 N A:VAL101 4.7 11.6 1.0 OD1 A:ASP317 4.7 3.6 1.0 OD2 A:ASP317 4.8 10.0 1.0 N A:PRO57 4.8 7.1 1.0 N A:ALA58 4.8 8.0 1.0 CB A:ASP56 4.8 13.2 1.0 CG A:ASP102 4.8 4.9 1.0 CB A:ASP317 4.9 5.9 1.0 CA A:VAL101 4.9 6.5 1.0 O A:HOH2019 4.9 17.4 1.0 OD1 A:ASP102 4.9 14.0 1.0 CG1 A:VAL101 5.0 11.6 1.0

N.-C.Ha, B.-C.Oh, S.Shin, H.J.Kim, T.K.Oh, Y.O.Kim, K.Y.Choi, B.H.Oh. Crystal Structures of A Novel, Thermostable Phytase in Partially and Fully Calcium-Loaded States Nat.Struct.Biol. V. 7 147 2000.
ISSN: ISSN 1072-8368
PubMed: 10655618
DOI: 10.1038/72421