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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 7buk:

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

Calcium (Ca) 2 atoms

Zinc Binding Sites:

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 7buk

Go back to Zinc Binding Sites List in 7buk
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 7buk

Go back to Zinc Binding Sites List in 7buk
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

Reference:

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.
Page generated: Sat Apr 17 17:46:27 2021

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