Zinc 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:

Calcium

(Ca)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the T1 Lipase Mutant - 5M (D43E/T118N/E226D/E250L/N304E), PDB code: 7buk:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn401 b:26.6 occ:1.00 OD2 A:ASP238 2.0 9.7 1.0 OD1 A:ASP61 2.1 9.4 1.0 NE2 A:HIS87 2.2 12.6 1.0 NE2 A:HIS81 2.4 11.2 1.0 OD2 A:ASP61 2.6 9.2 1.0 CG A:ASP61 2.7 9.4 1.0 CG A:ASP238 2.7 10.1 1.0 OD1 A:ASP238 2.8 10.8 1.0 CD2 A:HIS87 2.9 12.7 1.0 CD2 A:HIS81 3.1 11.3 1.0 CE1 A:HIS87 3.3 13.1 1.0 CE1 A:HIS81 3.6 11.1 1.0 OG A:SER58 4.0 9.7 1.0 CG A:HIS87 4.1 12.8 1.0 O A:HOH525 4.1 11.2 1.0 CB A:ASP61 4.2 9.2 1.0 CB A:ASP238 4.2 10.4 1.0 ND1 A:HIS87 4.3 13.3 1.0 CG A:HIS81 4.3 11.0 1.0 ND1 A:HIS81 4.5 11.0 1.0 CD1 A:TRP60 4.6 10.0 1.0 CA A:ASP61 4.8 9.1 1.0 O A:ASP238 4.8 9.8 1.0 ND1 A:HIS85 4.9 16.5 1.0 N A:ASP61 4.9 9.7 1.0 CB A:HIS85 5.0 14.5 1.0 CZ2 A:TRP211 5.0 12.8 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn401 b:34.4 occ:1.00 OD2 B:ASP238 1.9 18.9 1.0 OD1 B:ASP61 2.1 11.8 1.0 NE2 B:HIS81 2.1 14.4 1.0 NE2 B:HIS87 2.2 14.3 1.0 CG B:ASP61 2.8 12.1 1.0 CG B:ASP238 2.8 17.5 1.0 OD2 B:ASP61 2.9 11.2 1.0 CD2 B:HIS81 2.9 14.4 1.0 CD2 B:HIS87 3.0 14.6 1.0 OD1 B:ASP238 3.0 17.4 1.0 CE1 B:HIS81 3.2 14.3 1.0 CE1 B:HIS87 3.2 14.2 1.0 OG B:SER58 3.6 13.0 1.0 CG B:HIS81 4.1 14.3 1.0 CG B:HIS87 4.2 15.4 1.0 ND1 B:HIS81 4.2 14.6 1.0 CB B:ASP238 4.2 16.1 1.0 CB B:ASP61 4.2 12.6 1.0 ND1 B:HIS87 4.3 14.2 1.0 CD1 B:TRP60 4.6 10.8 1.0 CA B:ASP61 4.8 12.8 1.0 CB B:SER58 4.8 12.9 1.0 N B:ASP61 4.9 12.8 1.0 O B:ASP238 4.9 16.8 1.0 CD1 B:TYR77 4.9 14.5 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.