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Zinc in PDB 1u0a: Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide

Enzymatic activity of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide

All present enzymatic activity of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide:
3.2.1.73;

Protein crystallography data

The structure of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide, PDB code: 1u0a was solved by O.J.Gaiser, K.Piotukh, M.N.Ponnuswamy, A.Planas, R.Borriss, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.46 / 1.64
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.769, 88.758, 154.795, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.7

Other elements in 1u0a:

The structure of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide (pdb code 1u0a). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide, PDB code: 1u0a:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 1u0a

Go back to Zinc Binding Sites List in 1u0a
Zinc binding site 1 out of 3 in the Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn5005

b:16.5
occ:1.00
 OD2 A:ASP161 1.9 16.2 1.0
OD2 C:ASP761 1.9 16.1 1.0
ND1 C:HIS745 2.0 15.5 1.0
ND1 A:HIS145 2.0 16.1 1.0
CG A:ASP161 2.9 16.5 1.0
CE1 C:HIS745 2.9 15.1 1.0
CE1 A:HIS145 2.9 16.0 1.0
CG C:ASP761 2.9 16.4 1.0
CG C:HIS745 3.1 15.4 1.0
CG A:HIS145 3.2 16.1 1.0
OD1 A:ASP161 3.2 18.3 1.0
OD1 C:ASP761 3.3 16.8 1.0
CB C:HIS745 3.6 15.4 1.0
CB A:HIS145 3.6 17.1 1.0
O A:HOH2172 3.9 16.8 1.0
O C:HOH2148 3.9 17.5 1.0
NE2 C:HIS745 4.0 16.3 1.0
NE2 A:HIS145 4.1 16.9 1.0
CD2 C:HIS745 4.2 16.1 1.0
CB A:ASP161 4.2 17.6 1.0
CB C:ASP761 4.2 17.9 1.0
CD2 A:HIS145 4.2 16.0 1.0
CA C:HIS745 4.3 15.7 1.0
CA A:HIS145 4.3 16.0 1.0
CE1 A:PHE138 4.7 16.1 1.0
CE1 C:PHE738 4.7 16.6 1.0
CZ A:PHE138 4.8 16.1 1.0
CZ C:PHE738 4.8 16.2 1.0
O A:PHE144 4.9 15.2 1.0
O C:PHE744 4.9 17.7 1.0

Zinc binding site 2 out of 3 in 1u0a

Go back to Zinc Binding Sites List in 1u0a
Zinc binding site 2 out of 3 in the Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn5011

b:23.2
occ:1.00
 O A:HOH3595 2.0 23.4 1.0
ND1 A:HIS166 2.0 16.3 1.0
O A:HOH6004 2.3 15.6 0.5
O A:HOH3596 2.3 17.7 0.5
CE1 A:HIS166 2.7 17.6 1.0
CG A:HIS166 3.3 15.9 1.0
CB A:HIS166 3.9 16.7 1.0
NE2 A:HIS166 3.9 16.6 1.0
CA A:HIS166 4.0 16.2 1.0
CE A:LYS132 4.0 20.3 1.0
O A:HOH2771 4.2 32.2 1.0
CD2 A:HIS166 4.2 17.5 1.0
CD A:LYS132 4.2 18.8 1.0
N A:THR167 4.3 17.7 1.0
NZ A:LYS132 4.4 21.8 1.0
CG A:LYS132 4.4 17.4 1.0
O A:LYS165 4.5 16.6 1.0
O A:HOH3522 4.5 40.3 0.5
O A:THR167 4.6 20.3 1.0
C A:HIS166 4.7 16.6 1.0
O A:HOH3467 4.8 30.7 0.5

Zinc binding site 3 out of 3 in 1u0a

Go back to Zinc Binding Sites List in 1u0a
Zinc binding site 3 out of 3 in the Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Engineered Beta-1,3-1,4-Endoglucanase H(A16- M) in Complex with Beta-Glucan Tetrasaccharide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn5006

b:13.8
occ:1.00
 OD2 D:ASP1061 1.8 14.3 1.0
OD2 B:ASP461 1.8 14.6 1.0
ND1 D:HIS1045 2.0 12.4 1.0
ND1 B:HIS445 2.1 14.9 1.0
CE1 D:HIS1045 2.8 13.3 1.0
CG D:ASP1061 2.8 14.5 1.0
CG B:ASP461 2.9 15.0 1.0
CE1 B:HIS445 2.9 14.5 1.0
CG D:HIS1045 3.1 12.7 1.0
CG B:HIS445 3.2 14.9 1.0
OD1 D:ASP1061 3.2 13.5 1.0
OD1 B:ASP461 3.2 15.5 1.0
CB B:HIS445 3.6 15.6 1.0
CB D:HIS1045 3.6 12.3 1.0
O B:HOH2157 4.0 17.9 1.0
NE2 D:HIS1045 4.0 11.8 1.0
O D:HOH2059 4.0 13.6 1.0
NE2 B:HIS445 4.1 15.2 1.0
CD2 D:HIS1045 4.2 13.6 1.0
CB D:ASP1061 4.2 14.2 1.0
CB B:ASP461 4.2 14.4 1.0
CD2 B:HIS445 4.2 15.1 1.0
CA B:HIS445 4.3 14.9 1.0
CA D:HIS1045 4.3 12.6 1.0
CE1 B:PHE438 4.7 15.1 1.0
CE1 D:PHE1038 4.7 13.9 1.0
O B:PHE444 4.8 16.0 1.0
CZ D:PHE1038 4.8 13.3 1.0
O D:PHE1044 4.8 14.9 1.0
CZ B:PHE438 4.9 13.9 1.0

Reference:

O.J.Gaiser, K.Piotukh, M.N.Ponnuswamy, A.Planas, R.Borriss, U.Heinemann. Structural Basis For the Substrate Specificity of A Bacillus 1,3-1,4-Beta-Glucanase J.Mol.Biol. V. 357 1211 2006.
ISSN: ISSN 0022-2836
PubMed: 16483609
DOI: 10.1016/J.JMB.2006.01.014
Page generated: Wed Oct 16 19:22:29 2024

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