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Iodine in PDB 4aio: Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase

Enzymatic activity of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase

All present enzymatic activity of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase:
3.2.1.41;

Protein crystallography data

The structure of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase, PDB code: 4aio was solved by M.S.Moeller, M.Abou Hachem, B.Svensson, A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.694 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 176.058, 82.072, 59.378, 90.00, 96.20, 90.00
R / Rfree (%) 18.678 / 22.476

Other elements in 4aio:

The structure of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase (pdb code 4aio). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase, PDB code: 4aio:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 4aio

Go back to Iodine Binding Sites List in 4aio
Iodine binding site 1 out of 4 in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1891

b:37.2
occ:0.50
 CE1 A:HIS847 3.7 15.9 1.0
CB A:PRO848 4.3 17.4 1.0
CB A:SER767 4.3 14.3 1.0
CG A:PRO848 4.3 18.2 1.0
NE2 A:HIS847 4.4 15.8 1.0
CZ A:PHE818 4.4 21.4 1.0
ND1 A:HIS847 4.5 15.4 1.0
CD A:PRO848 4.7 16.8 1.0
CG2 A:VAL849 4.8 16.6 1.0
OG A:SER767 5.0 13.7 1.0

Iodine binding site 2 out of 4 in 4aio

Go back to Iodine Binding Sites List in 4aio
Iodine binding site 2 out of 4 in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1892

b:43.0
occ:0.50
 N A:ALA236 3.4 23.7 1.0
NE2 A:GLN384 3.4 20.3 1.0
CA A:PRO235 3.6 23.3 1.0
CB A:PRO235 3.7 23.7 1.0
C A:PRO235 4.0 22.6 1.0
CB A:ALA236 4.3 22.9 1.0
CA A:ALA236 4.5 23.2 1.0
CD A:GLN384 4.5 18.6 1.0
CG A:GLN384 4.7 17.5 1.0
CG A:PRO235 4.9 22.8 1.0
N A:PRO235 5.0 22.6 1.0

Iodine binding site 3 out of 4 in 4aio

Go back to Iodine Binding Sites List in 4aio
Iodine binding site 3 out of 4 in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1893

b:56.7
occ:0.50
 NE2 A:GLN850 3.3 18.0 1.0
CE1 A:HIS668 3.7 17.4 1.0
CG1 A:ILE761 3.9 17.5 1.0
CD1 A:ILE761 4.0 17.8 1.0
NE2 A:HIS668 4.0 18.2 1.0
CG A:GLN850 4.0 17.4 1.0
CD A:GLN850 4.2 17.5 1.0
CB A:ASP760 4.2 18.0 1.0
O A:SER757 4.3 16.6 1.0
CB A:SER757 4.5 18.7 1.0
OG A:SER853 4.6 25.4 1.0
O A:HOH2251 4.6 28.2 1.0
OD2 A:ASP760 4.7 21.5 1.0
CA A:SER757 4.7 17.3 1.0
CG1 A:VAL858 4.8 19.6 1.0
ND1 A:HIS668 4.9 18.8 1.0
C A:SER757 5.0 16.7 1.0
O A:HOH2276 5.0 45.6 1.0

Iodine binding site 4 out of 4 in 4aio

Go back to Iodine Binding Sites List in 4aio
Iodine binding site 4 out of 4 in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1894

b:40.2
occ:0.50
 O A:HOH2187 3.1 28.1 1.0
NZ A:LYS487 3.5 24.9 1.0
CE A:LYS487 4.2 23.3 1.0
CA A:GLY535 4.2 13.4 1.0
CD1 A:ILE632 4.3 18.1 1.0
O A:THR534 4.8 14.6 1.0
O A:GLY535 4.9 13.7 1.0

Reference:

M.S.Moeller, M.Abou Hachem, B.Svensson, A.Henriksen. Structure of the Starch-Debranching Enzyme Barley Limit Dextrinase Reveals Homology of the N-Terminal Domain to CBM21. Acta Crystallogr.,Sect.F V. 68 1008 2012.
ISSN: ISSN 1744-3091
PubMed: 22949184
DOI: 10.1107/S1744309112031004
Page generated: Sun Aug 11 17:21:59 2024

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