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Calcium in PDB 2pwg: Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine

Enzymatic activity of Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine

All present enzymatic activity of Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine:
5.4.99.11;

Protein crystallography data

The structure of Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine, PDB code: 2pwg was solved by S.Ravaud, X.Robert, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.91 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.240, 85.960, 123.520, 90.00, 99.20, 90.00
R / Rfree (%) 18.6 / 23

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine (pdb code 2pwg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine, PDB code: 2pwg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2pwg

Go back to Calcium Binding Sites List in 2pwg
Calcium binding site 1 out of 2 in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine


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 Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca7000

b:21.0
occ:1.00
 OD2 A:ASP30 2.3 20.9 1.0
OD1 A:ASN24 2.4 27.6 1.0
O A:ILE28 2.4 16.4 1.0
OD1 A:ASP22 2.4 19.2 1.0
O A:HOH4531 2.4 24.2 1.0
O A:HOH4715 2.4 28.2 1.0
OD1 A:ASP26 2.5 20.0 1.0
CG A:ASP26 3.3 22.1 1.0
CG A:ASN24 3.4 25.0 1.0
CG A:ASP22 3.4 19.7 1.0
CG A:ASP30 3.4 20.0 1.0
C A:ILE28 3.5 18.2 1.0
OD2 A:ASP26 3.6 24.7 1.0
CB A:ASP30 3.8 18.1 1.0
ND2 A:ASN24 3.9 25.8 1.0
OD2 A:ASP22 4.1 18.1 1.0
N A:ILE28 4.2 18.0 1.0
CA A:ASP22 4.2 19.1 1.0
N A:THR23 4.2 21.8 1.0
CB A:ASP22 4.2 18.8 1.0
CA A:ILE28 4.2 17.8 1.0
N A:ASN24 4.2 22.4 1.0
C A:GLY29 4.3 18.6 1.0
O A:GLY29 4.3 18.6 1.0
O A:GLU75 4.3 20.1 1.0
CB A:ILE28 4.5 19.3 1.0
CB A:ASN24 4.5 20.8 1.0
OD1 A:ASP30 4.5 19.1 1.0
N A:ASP30 4.5 18.8 1.0
N A:GLY29 4.5 18.6 1.0
CB A:ASP26 4.6 18.9 1.0
N A:ASP26 4.6 18.3 1.0
CA A:GLY29 4.7 16.9 1.0
C A:ASP22 4.7 20.9 1.0
CA A:ASP30 4.8 17.9 1.0
CA A:ASN24 4.8 23.2 1.0
O A:HOH6045 4.9 30.5 1.0
CG2 A:ILE28 5.0 15.3 1.0
N A:GLY25 5.0 21.9 1.0

Calcium binding site 2 out of 2 in 2pwg

Go back to Calcium Binding Sites List in 2pwg
Calcium binding site 2 out of 2 in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine


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 Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Castanospermine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca7001

b:20.8
occ:1.00
 OD2 B:ASP30 2.4 14.8 1.0
OD1 B:ASP22 2.4 16.9 1.0
OD1 B:ASN24 2.4 22.7 1.0
O B:ILE28 2.4 16.5 1.0
O B:HOH4405 2.4 28.2 1.0
O B:HOH4097 2.5 27.0 1.0
OD1 B:ASP26 2.6 21.7 1.0
CG B:ASP26 3.4 22.9 1.0
CG B:ASP22 3.4 18.8 1.0
CG B:ASN24 3.4 20.4 1.0
CG B:ASP30 3.4 12.2 1.0
C B:ILE28 3.5 15.9 1.0
OD2 B:ASP26 3.6 25.0 1.0
CB B:ASP30 3.8 13.8 1.0
ND2 B:ASN24 4.0 22.7 1.0
OD2 B:ASP22 4.2 20.7 1.0
CB B:ASP22 4.2 19.9 1.0
N B:ASN24 4.2 17.5 1.0
N B:ILE28 4.2 15.8 1.0
CA B:ASP22 4.2 19.4 1.0
N B:THR23 4.2 20.4 1.0
CA B:ILE28 4.3 15.8 1.0
O B:GLU75 4.3 20.7 1.0
C B:GLY29 4.3 15.1 1.0
O B:GLY29 4.4 15.3 1.0
CB B:ASN24 4.5 17.9 1.0
CB B:ILE28 4.5 17.0 1.0
N B:ASP30 4.5 16.2 1.0
OD1 B:ASP30 4.5 10.9 1.0
N B:GLY29 4.5 16.8 1.0
N B:ASP26 4.6 17.4 1.0
CB B:ASP26 4.7 21.4 1.0
CA B:GLY29 4.7 13.3 1.0
C B:ASP22 4.7 20.7 1.0
CA B:ASN24 4.8 19.9 1.0
O B:HOH5043 4.8 29.9 1.0
CA B:ASP30 4.8 16.2 1.0
N B:GLY25 4.9 18.8 1.0
O B:HOH4625 5.0 30.9 1.0

Reference:

S.Ravaud, X.Robert, H.Watzlawick, R.Haser, R.Mattes, N.Aghajari. Trehalulose Synthase Native and Carbohydrate Complexed Structures Provide Insights Into Sucrose Isomerization. J.Biol.Chem. V. 61 100 2007.
ISSN: ISSN 0021-9258
PubMed: 17597061
DOI: 10.1074/JBC.M704515200
Page generated: Fri Jul 12 15:19:33 2024

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