Calcium in PDB 7buk: T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E)

All present enzymatic activity of T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E):
3.1.1.3;

The structure of T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E), PDB code: 7buk was solved by S.N.H.Ishak, R.N.Z.R.A.Rahman, M.S.M.Ali, A.T.C.Leow, N.H.A.Kamarudin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.10 / 2.64
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.592, 81.269, 99.522, 90, 97.32, 90
R / Rfree (%)	18.4 / 26.2

The structure of T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E) (pdb code 7buk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E), PDB code: 7buk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:32.9 occ:1.00 O A:GLY286 2.2 11.3 1.0 OE2 A:GLU360 2.4 11.7 1.0 O A:PRO366 2.5 12.1 1.0 OD2 A:ASP365 2.6 13.1 1.0 C A:GLY286 3.4 11.5 1.0 CD A:GLU360 3.4 11.8 1.0 CG A:GLU360 3.6 11.2 1.0 C A:PRO366 3.7 12.7 1.0 CG A:ASP365 3.7 14.2 1.0 CA A:GLY286 4.1 12.1 1.0 N A:ASN288 4.2 10.6 1.0 NH2 A:ARG271 4.3 13.7 1.0 CB A:ASP365 4.3 14.3 1.0 N A:PRO366 4.3 13.1 1.0 N A:MET287 4.4 10.9 1.0 C A:MET287 4.4 10.3 1.0 CD A:PRO366 4.4 12.8 1.0 N A:ASN367 4.5 13.3 1.0 OE1 A:GLU360 4.5 11.9 1.0 CA A:MET287 4.6 10.6 1.0 CB A:ASN367 4.6 13.7 1.0 CA A:PRO366 4.6 12.8 1.0 C A:ASP365 4.7 13.6 1.0 CA A:ASN367 4.7 13.5 1.0 OD1 A:ASP365 4.7 15.7 1.0 CG A:PRO366 4.7 12.3 1.0 CA A:ASN288 4.9 10.6 1.0 O A:MET287 4.9 9.8 1.0 OD2 A:ASP357 4.9 11.8 1.0 O A:HOH590 4.9 0.7 1.0 O A:HOH575 4.9 14.4 1.0

Calcium binding site 2 out of 2 in the T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:36.7 occ:1.00 OE2 B:GLU360 2.3 11.5 1.0 O B:GLY286 2.4 12.2 1.0 O B:PRO366 2.4 16.1 1.0 OD2 B:ASP365 2.4 13.9 1.0 CD B:GLU360 3.3 12.2 1.0 CG B:GLU360 3.5 12.6 1.0 C B:PRO366 3.5 16.2 1.0 C B:GLY286 3.5 12.1 1.0 CG B:ASP365 3.7 14.3 1.0 NH2 B:ARG271 4.1 10.9 1.0 CB B:ASN367 4.3 18.0 1.0 CA B:GLY286 4.3 12.3 1.0 N B:ASN288 4.4 11.3 1.0 N B:PRO366 4.4 15.1 1.0 OE1 B:GLU360 4.4 12.3 1.0 N B:ASN367 4.4 17.5 1.0 C B:MET287 4.4 11.5 1.0 CB B:ASP365 4.5 14.0 1.0 N B:MET287 4.5 11.8 1.0 CA B:PRO366 4.5 15.6 1.0 CA B:ASN367 4.5 17.8 1.0 C B:ASP365 4.5 14.2 1.0 OD1 B:ASP365 4.6 14.6 1.0 CA B:MET287 4.6 11.7 1.0 CG B:PRO366 4.7 15.4 1.0 O B:ASP365 4.7 13.7 1.0 CD B:PRO366 4.8 15.8 1.0 O B:MET287 4.9 11.2 1.0 O B:HOH512 4.9 13.7 1.0 CA B:ASN288 4.9 11.4 1.0 OD2 B:ASP357 4.9 14.5 1.0 CG B:ASN367 4.9 18.6 1.0

S.N.H.Ishak, M.S.M.Ali, A.T.C.Leow, N.H.A.Kamarudin, R.N.Z.R.A.Rahman. Crystallization and Structure Elucidation of 5M Mutant of T1 Lipase Geobacillus Zalihae. To Be Published.