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Iodine in PDB 4ttu: N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose

Enzymatic activity of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose

All present enzymatic activity of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose:
2.4.1.5;

Protein crystallography data

The structure of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose, PDB code: 4ttu was solved by Y.Brison, M.Remaud-Simeon, L.Mourey, S.Tranier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.99 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.290, 100.100, 184.430, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 21.3

Other elements in 4ttu:

The structure of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Sodium (Na) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose (pdb code 4ttu). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose, PDB code: 4ttu:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 4ttu

Go back to Iodine Binding Sites List in 4ttu
Iodine binding site 1 out of 3 in the N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2075

b:74.3
occ:0.30
 I1 A:TYI2075 0.0 74.3 0.3
CE1 A:TYI2075 2.1 58.0 1.0
O A:HOH3686 2.6 35.6 1.0
CD1 A:TYI2075 3.1 51.8 1.0
CZ A:TYI2075 3.1 61.2 1.0
OH A:TYI2075 3.3 70.5 1.0
CG A:TYI2075 4.4 43.1 1.0
CE2 A:TYI2075 4.5 52.0 1.0
O A:HOH3509 4.7 33.2 1.0
CD2 A:TYI2075 4.9 47.2 1.0

Iodine binding site 2 out of 3 in 4ttu

Go back to Iodine Binding Sites List in 4ttu
Iodine binding site 2 out of 3 in the N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2075

b:54.8
occ:0.50
 I2 A:TYI2075 0.0 54.8 0.5
CE2 A:TYI2075 2.1 52.0 1.0
CD2 A:TYI2075 3.0 47.2 1.0
CZ A:TYI2075 3.2 61.2 1.0
OH A:TYI2075 3.4 70.5 1.0
OD1 A:ASP2076 4.1 38.0 1.0
CG A:GLN2079 4.2 38.0 1.0
O A:HOH3277 4.3 31.1 1.0
CG A:TYI2075 4.4 43.1 1.0
CB A:GLN2079 4.4 32.4 1.0
NE2 A:GLN2079 4.5 48.5 1.0
CE1 A:TYI2075 4.5 58.0 1.0
CD A:GLN2079 4.8 40.6 1.0
CD1 A:TYI2075 4.9 51.8 1.0

Iodine binding site 3 out of 3 in 4ttu

Go back to Iodine Binding Sites List in 4ttu
Iodine binding site 3 out of 3 in the N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of N-Terminally Truncated Dextransucrase Dsr-E From Leuconostoc Mesenteroides Nrrl B-1299 in Complex with Isomaltotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2712

b:49.4
occ:0.40
 IE A:IYR2712 0.0 49.4 0.4
CE A:IYR2712 2.1 33.4 1.0
CF A:IYR2712 3.0 31.7 1.0
OF A:IYR2712 3.1 35.2 1.0
CD A:IYR2712 3.1 30.4 1.0
CB A:ASP2133 4.1 27.2 1.0
CG2 A:VAL2711 4.1 19.2 1.0
CA A:ASP2133 4.3 25.1 1.0
NE1 A:TRP2135 4.3 24.3 1.0
CG A:IYR2712 4.3 29.6 1.0
CZ2 A:TRP2135 4.3 24.3 1.0
CC A:IYR2712 4.4 27.6 1.0
CE2 A:TRP2135 4.6 22.6 1.0
O A:GLY2132 4.7 25.4 1.0
CH A:IYR2712 4.8 31.3 1.0
N A:ASP2133 4.9 25.3 1.0

Reference:

Y.Brison, Y.Malbert, G.Czaplicki, L.Mourey, M.Remaud-Simeon, S.Tranier. Structural Insights Into the Carbohydrate Binding Ability of An Alpha-(12) Branching Sucrase From Glycoside Hydrolase Family 70. J.Biol.Chem. V. 291 7527 2016.
ISSN: ESSN 1083-351X
PubMed: 26865636
DOI: 10.1074/JBC.M115.688796
Page generated: Sun Aug 11 19:58:08 2024

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