Calcium in PDB 1ku0: Structure of the Bacillus Stearothermophilus L1 Lipase

All present enzymatic activity of Structure of the Bacillus Stearothermophilus L1 Lipase:
3.1.1.3;

The structure of Structure of the Bacillus Stearothermophilus L1 Lipase, PDB code: 1ku0 was solved by S.-T.Jeong, H.-K.Kim, S.-J.Kim, S.-W.Chi, J.-G.Pan, T.-K.Oh, S.-E.Ryu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.620, 85.040, 98.360, 90.00, 99.73, 90.00
R / Rfree (%)	18.5 / 21.8

The structure of Structure of the Bacillus Stearothermophilus L1 Lipase also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Structure of the Bacillus Stearothermophilus L1 Lipase (pdb code 1ku0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Bacillus Stearothermophilus L1 Lipase, PDB code: 1ku0:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Bacillus Stearothermophilus L1 Lipase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Bacillus Stearothermophilus L1 Lipase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:34.6 occ:1.00 O A:PRO366 2.2 20.1 1.0 OE2 A:GLU360 2.3 15.2 1.0 O A:GLY286 2.3 19.3 1.0 OD2 A:ASP365 2.5 23.7 1.0 O A:HOH2229 2.5 28.6 1.0 O A:HOH2228 2.6 44.9 1.0 CD A:GLU360 3.3 15.6 1.0 C A:PRO366 3.4 22.3 1.0 C A:GLY286 3.4 21.2 1.0 CG A:GLU360 3.6 15.6 1.0 CG A:ASP365 3.7 22.6 1.0 CA A:GLY286 4.1 20.6 1.0 NH2 A:ARG271 4.2 21.0 1.0 CB A:ASN367 4.2 21.5 1.0 N A:ASN367 4.3 23.6 1.0 CA A:ASN367 4.3 22.7 1.0 N A:PRO366 4.4 18.8 1.0 OE1 A:GLU360 4.4 13.4 1.0 CA A:PRO366 4.4 19.5 1.0 N A:ASN288 4.4 16.3 1.0 N A:MET287 4.5 18.2 1.0 CB A:ASP365 4.5 18.5 1.0 OD1 A:ASP365 4.5 24.7 1.0 C A:ASP365 4.6 18.4 1.0 C A:MET287 4.6 17.1 1.0 CG A:PRO366 4.6 22.1 1.0 CA A:MET287 4.7 16.5 1.0 CD A:PRO366 4.7 17.4 1.0 O A:ASP365 4.8 14.9 1.0 OD2 A:ASP357 4.8 17.2 1.0 O A:HOH2234 4.8 36.4 1.0 CG A:ASN367 4.9 23.2 1.0 CB A:GLU360 5.0 14.8 1.0

Calcium binding site 2 out of 2 in the Structure of the Bacillus Stearothermophilus L1 Lipase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Bacillus Stearothermophilus L1 Lipase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca704 b:31.9 occ:1.00 OD2 B:ASP1365 2.3 26.8 1.0 O B:GLY1286 2.3 23.0 1.0 O B:PRO1366 2.3 18.4 1.0 OE2 B:GLU1360 2.4 22.7 1.0 O B:HOH2243 2.6 39.5 1.0 O B:HOH2209 2.9 29.0 1.0 CD B:GLU1360 3.4 20.5 1.0 C B:GLY1286 3.5 22.9 1.0 CG B:ASP1365 3.5 22.9 1.0 C B:PRO1366 3.5 19.5 1.0 CG B:GLU1360 3.7 19.6 1.0 CA B:GLY1286 4.2 21.1 1.0 NH2 B:ARG1271 4.2 16.0 1.0 OD1 B:ASP1365 4.3 24.0 1.0 N B:PRO1366 4.4 19.0 1.0 CB B:ASN1367 4.4 20.6 1.0 N B:ASN1367 4.4 19.4 1.0 N B:ASN1288 4.4 19.7 1.0 N B:MET1287 4.5 22.1 1.0 CB B:ASP1365 4.5 20.8 1.0 CA B:ASN1367 4.5 23.3 1.0 CA B:PRO1366 4.5 18.8 1.0 C B:MET1287 4.5 20.4 1.0 OE1 B:GLU1360 4.5 16.3 1.0 CG B:PRO1366 4.6 19.4 1.0 C B:ASP1365 4.6 19.6 1.0 OD2 B:ASP1357 4.6 28.6 1.0 CA B:MET1287 4.6 20.4 1.0 CD B:PRO1366 4.7 21.9 1.0 O B:ASP1365 4.8 19.8 1.0 CA B:ASN1288 5.0 15.7 1.0 CG B:ASN1367 5.0 26.4 1.0

S.T.Jeong, H.K.Kim, S.J.Kim, S.W.Chi, J.G.Pan, T.K.Oh, S.E.Ryu. Novel Zinc-Binding Center and A Temperature Switch in the Bacillus Stearothermophilus L1 Lipase. J.Biol.Chem. V. 277 17041 2002.
ISSN: ISSN 0021-9258
PubMed: 11859083
DOI: 10.1074/JBC.M200640200