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

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

All present enzymatic activity of Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 Complexed to the Inhibitor Deoxynojirmycin:
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 Deoxynojirmycin, PDB code: 2pwd 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) 42.32 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 63.400, 72.000, 82.000, 67.20, 73.40, 70.90
R / Rfree (%) 16.9 / 20.5

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 Deoxynojirmycin (pdb code 2pwd). 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 Deoxynojirmycin, PDB code: 2pwd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2pwd

Go back to Calcium Binding Sites List in 2pwd
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 Deoxynojirmycin


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 Deoxynojirmycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca7001

b:11.8
occ:1.00
 OD1 A:ASN24 2.2 21.3 1.0
OD1 A:ASP22 2.2 15.2 1.0
OD2 A:ASP30 2.3 17.2 1.0
O A:ILE28 2.3 11.8 1.0
O A:HOH4531 2.4 28.7 1.0
OD1 A:ASP26 2.4 19.7 1.0
O A:HOH4715 2.5 24.0 1.0
CG A:ASP22 3.3 14.7 1.0
CG A:ASP26 3.3 20.9 1.0
CG A:ASN24 3.3 22.3 1.0
CG A:ASP30 3.4 16.2 1.0
C A:ILE28 3.5 12.3 1.0
OD2 A:ASP26 3.6 22.8 1.0
CB A:ASP30 3.9 14.3 1.0
ND2 A:ASN24 4.0 22.7 1.0
OD2 A:ASP22 4.1 15.7 1.0
N A:ASN24 4.1 19.9 1.0
CB A:ASP22 4.1 14.9 1.0
N A:THR23 4.1 17.8 1.0
N A:ILE28 4.2 13.1 1.0
CA A:ASP22 4.2 14.4 1.0
CA A:ILE28 4.3 12.5 1.0
C A:GLY29 4.3 8.8 1.0
O A:GLU75 4.4 16.1 1.0
O A:GLY29 4.4 9.4 1.0
CB A:ASN24 4.4 20.4 1.0
OD1 A:ASP30 4.4 16.8 1.0
CB A:ILE28 4.5 13.1 1.0
N A:GLY29 4.5 9.2 1.0
N A:ASP26 4.6 18.2 1.0
CB A:ASP26 4.6 19.0 1.0
N A:ASP30 4.6 10.3 1.0
C A:ASP22 4.7 16.8 1.0
CA A:ASN24 4.7 19.7 1.0
CA A:GLY29 4.7 8.4 1.0
CA A:ASP30 4.9 11.6 1.0
C A:ASN24 4.9 20.1 1.0
N A:GLY25 5.0 20.1 1.0

Calcium binding site 2 out of 2 in 2pwd

Go back to Calcium Binding Sites List in 2pwd
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 Deoxynojirmycin


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 Deoxynojirmycin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca7000

b:15.6
occ:1.00
 OD1 B:ASP22 2.2 18.9 1.0
O B:HOH4405 2.2 33.8 1.0
OD2 B:ASP30 2.3 20.9 1.0
OD1 B:ASN24 2.3 22.9 1.0
O B:ILE28 2.3 13.0 1.0
OD1 B:ASP26 2.5 20.8 1.0
O B:HOH4097 2.5 25.6 1.0
CG B:ASP22 3.2 18.0 1.0
CG B:ASP26 3.3 21.4 1.0
CG B:ASN24 3.4 23.2 1.0
CG B:ASP30 3.4 17.5 1.0
C B:ILE28 3.5 14.2 1.0
OD2 B:ASP26 3.6 25.3 1.0
CB B:ASP30 3.9 15.7 1.0
OD2 B:ASP22 4.0 20.6 1.0
ND2 B:ASN24 4.0 22.3 1.0
CB B:ASP22 4.1 17.1 1.0
N B:THR23 4.2 18.9 1.0
N B:ASN24 4.2 21.1 1.0
N B:ILE28 4.2 15.2 1.0
CA B:ASP22 4.2 15.8 1.0
CA B:ILE28 4.3 14.2 1.0
C B:GLY29 4.3 9.9 1.0
O B:GLY29 4.4 9.8 1.0
O B:GLU75 4.4 18.1 1.0
OD1 B:ASP30 4.5 18.6 1.0
CB B:ILE28 4.5 14.6 1.0
CB B:ASN24 4.5 21.6 1.0
N B:GLY29 4.5 10.6 1.0
N B:ASP26 4.5 20.6 1.0
CB B:ASP26 4.5 20.5 1.0
N B:ASP30 4.6 11.5 1.0
CA B:GLY29 4.7 10.8 1.0
C B:ASP22 4.7 17.4 1.0
O B:HOH5044 4.7 35.2 1.0
CA B:ASN24 4.8 22.1 1.0
CA B:ASP30 4.9 12.7 1.0
N B:GLY25 5.0 22.2 1.0
C B:ASN24 5.0 22.1 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: Tue Jul 8 07:47:52 2025

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