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Calcium 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:

Zinc (Zn) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 4 binding sites of Calcium 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 Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1u0a

Go back to Calcium Binding Sites List in 1u0a
Calcium binding site 1 out of 4 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 Calcium with other atoms in the Ca 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:Ca5004

b:27.2
occ:1.00
 O A:PRO9 2.2 24.5 1.0
O A:HOH2752 2.2 27.1 1.0
O A:HOH2447 2.3 37.3 1.0
O A:HOH2586 2.3 27.7 1.0
O A:GLY45 2.4 28.5 1.0
O A:ASP207 2.4 23.5 1.0
OD1 A:ASP207 2.4 27.2 1.0
C A:PRO9 3.3 24.9 1.0
C A:ASP207 3.4 23.5 1.0
C A:GLY45 3.5 30.0 1.0
CG A:ASP207 3.6 25.0 1.0
O A:HOH2848 3.7 34.2 1.0
CA A:PRO9 3.8 27.4 1.0
CA A:ASP207 4.0 22.8 1.0
CB A:PRO9 4.1 28.5 1.0
CA A:GLY45 4.1 31.1 1.0
OD2 A:ASP207 4.4 27.1 1.0
N A:PHE10 4.4 26.3 1.0
CB A:ASP207 4.4 23.8 1.0
O A:HOH3568 4.5 48.5 1.0
NZ A:LYS46 4.5 34.5 1.0
N A:TRP208 4.6 22.4 1.0
N A:LYS46 4.6 28.5 1.0
CB A:PHE10 4.6 25.4 1.0
O A:ASP44 4.7 35.9 1.0
O A:PHE10 4.7 28.1 1.0
OD1 A:ASN11 4.8 33.1 1.0
C A:PHE10 4.8 28.5 1.0
CB A:TRP208 4.8 21.6 1.0
CA A:PHE10 4.8 26.5 1.0
CA A:TRP208 4.9 21.2 1.0
CA A:LYS46 4.9 27.6 1.0
CD A:LYS46 4.9 33.2 1.0

Calcium binding site 2 out of 4 in 1u0a

Go back to Calcium Binding Sites List in 1u0a
Calcium binding site 2 out of 4 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 Calcium with other atoms in the Ca 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
B:Ca5002

b:20.3
occ:1.00
 O B:ASP507 2.4 16.8 1.0
O B:GLY345 2.4 19.4 1.0
O B:HOH2812 2.4 20.6 1.0
O B:PRO309 2.4 17.6 1.0
OD1 B:ASP507 2.4 18.4 1.0
O B:HOH2813 2.4 25.3 1.0
O B:HOH2114 2.5 21.6 1.0
C B:ASP507 3.4 16.1 1.0
C B:GLY345 3.5 20.7 1.0
C B:PRO309 3.5 17.8 1.0
CG B:ASP507 3.6 19.7 1.0
CA B:ASP507 3.9 16.3 1.0
CA B:GLY345 4.0 21.8 1.0
CA B:PRO309 4.0 18.4 1.0
CB B:PRO309 4.3 19.8 1.0
CB B:ASP507 4.3 17.9 1.0
O B:HOH3074 4.5 42.4 1.0
NZ B:LYS346 4.5 27.6 1.0
OD2 B:ASP507 4.5 21.4 1.0
N B:TRP508 4.5 15.9 1.0
N B:LYS346 4.6 18.3 1.0
O B:HOH2903 4.6 34.0 1.0
N B:PHE310 4.6 17.5 1.0
CD B:LYS346 4.7 25.8 1.0
CB B:TRP508 4.7 16.2 1.0
O B:ASP344 4.7 28.1 1.0
O B:HOH3417 4.7 52.1 1.0
CB B:PHE310 4.8 18.1 1.0
OD1 B:ASN311 4.8 23.9 1.0
O B:PHE310 4.9 18.5 1.0
CA B:TRP508 4.9 15.8 1.0
C B:PHE310 4.9 18.9 1.0
CA B:LYS346 4.9 18.7 1.0

Calcium binding site 3 out of 4 in 1u0a

Go back to Calcium Binding Sites List in 1u0a
Calcium binding site 3 out of 4 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 Calcium with other atoms in the Ca 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
C:Ca5003

b:20.9
occ:1.00
 OD1 C:ASP807 2.2 22.3 1.0
O C:GLY645 2.3 22.7 1.0
O C:PRO609 2.3 19.1 1.0
O C:HOH2242 2.4 24.4 1.0
O C:HOH2815 2.4 19.9 1.0
O C:ASP807 2.4 18.1 1.0
O C:HOH2315 2.5 23.6 1.0
CG C:ASP807 3.4 18.1 1.0
C C:GLY645 3.4 23.3 1.0
C C:PRO609 3.4 19.1 1.0
C C:ASP807 3.4 18.3 1.0
CA C:PRO609 3.9 20.6 1.0
CA C:ASP807 3.9 17.0 1.0
CA C:GLY645 4.0 24.4 1.0
CB C:PRO609 4.1 20.6 1.0
OD2 C:ASP807 4.2 21.7 1.0
O C:HOH2760 4.2 31.5 1.0
CB C:ASP807 4.3 18.1 1.0
O C:HOH2996 4.4 39.1 1.0
N C:LYS646 4.5 22.0 1.0
N C:PHE610 4.5 19.8 1.0
NZ C:LYS646 4.5 29.2 1.0
O C:ASP644 4.6 30.1 1.0
N C:TRP808 4.6 16.6 1.0
CB C:PHE610 4.7 18.9 1.0
O C:PHE610 4.7 23.6 1.0
CD C:LYS646 4.7 27.8 1.0
O C:HOH3215 4.7 44.8 1.0
OD1 C:ASN611 4.7 25.1 1.0
O C:HOH2814 4.7 29.7 1.0
C C:PHE610 4.8 22.0 1.0
CA C:LYS646 4.8 21.7 1.0
CB C:TRP808 4.9 17.6 1.0
CA C:PHE610 4.9 19.7 1.0
CA C:TRP808 5.0 16.4 1.0

Calcium binding site 4 out of 4 in 1u0a

Go back to Calcium Binding Sites List in 1u0a
Calcium binding site 4 out of 4 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 Calcium with other atoms in the Ca binding site number 4 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
D:Ca5001

b:13.5
occ:1.00
 O D:GLY945 2.3 13.5 1.0
O D:PRO909 2.4 14.5 1.0
O D:ASP1107 2.4 12.7 1.0
OD1 D:ASP1107 2.4 14.2 1.0
O D:HOH2816 2.4 14.6 1.0
O D:HOH2022 2.5 12.3 1.0
O D:HOH2817 2.5 15.4 1.0
C D:GLY945 3.4 14.3 1.0
C D:ASP1107 3.4 11.3 1.0
C D:PRO909 3.5 12.5 1.0
CG D:ASP1107 3.5 15.3 1.0
CA D:PRO909 3.9 13.9 1.0
CA D:ASP1107 4.0 11.5 1.0
CA D:GLY945 4.0 15.8 1.0
CB D:PRO909 4.2 14.3 1.0
O D:HOH2349 4.3 22.2 1.0
OD2 D:ASP1107 4.3 17.4 1.0
CB D:ASP1107 4.4 12.3 1.0
N D:LYS946 4.5 15.7 1.0
N D:TRP1108 4.6 11.6 1.0
NZ D:LYS946 4.6 23.5 1.0
N D:PHE910 4.6 13.3 1.0
O D:HOH2875 4.6 35.1 1.0
O D:ASP944 4.6 23.9 1.0
CD D:LYS946 4.6 22.5 1.0
OD1 D:ASN911 4.7 15.4 1.0
CB D:TRP1108 4.8 13.4 1.0
O D:HOH2730 4.8 29.9 1.0
CA D:LYS946 4.8 15.1 1.0
CB D:PHE910 4.8 12.8 1.0
O D:PHE910 4.9 13.6 1.0
C D:PHE910 4.9 13.7 1.0
CA D:TRP1108 4.9 12.3 1.0
CA D:PHE910 5.0 14.0 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: Thu Jul 11 23:14:12 2024

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