Iodine in PDB 2c3v: Structure of Iodinated CBM25 From Bacillus Halodurans Amylase

The structure of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase, PDB code: 2c3v was solved by A.B.Boraston, M.Healey, J.Klassen, E.Ficko-Blean, A.Lammerts Van Bueren, V.Law, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.198, 41.819, 68.183, 90.00, 97.18, 90.00
R / Rfree (%)	20.1 / 25

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>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase (pdb code 2c3v). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase, PDB code: 2c3v:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:I124 b:23.5 occ:1.00 I1 A:TYI124 0.0 23.5 1.0 CE1 A:TYI124 2.1 19.3 1.0 CZ A:TYI124 3.0 18.9 1.0 CD1 A:TYI124 3.0 19.7 1.0 OH A:TYI124 3.1 20.2 1.0 O A:PRO178 3.7 26.1 1.0 C A:PRO178 4.2 23.0 1.0 CE2 A:TYI124 4.4 16.4 1.0 CG A:TYI124 4.4 18.8 1.0 CD2 A:TYI124 4.9 17.1 1.0

Iodine binding site 2 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:I124 b:19.8 occ:1.00 I2 A:TYI124 0.0 19.8 1.0 CE2 A:TYI124 2.1 16.4 1.0 CD2 A:TYI124 3.0 17.1 1.0 CZ A:TYI124 3.1 18.9 1.0 OH A:TYI124 3.3 20.2 1.0 OH A:TYR92 4.0 18.1 1.0 CE1 A:TYR92 4.1 14.7 1.0 CG2 A:THR177 4.2 19.4 1.0 CB A:THR177 4.2 18.1 1.0 CZ A:TYR92 4.3 15.8 1.0 CG A:TYI124 4.3 18.8 1.0 CE1 A:TYI124 4.4 19.3 1.0 CD A:PRO178 4.5 18.8 1.0 OG A:SER122 4.7 17.8 1.0 OG1 A:THR177 4.8 21.8 1.0 CD1 A:TYI124 4.9 19.7 1.0

Iodine binding site 3 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:I127 b:97.8 occ:0.80 I1 A:TYI127 0.0 97.8 0.8 I1 A:TYI127 0.1 0.8 0.2 CE1 A:TYI127 2.1 92.5 0.2 CE1 A:TYI127 2.1 88.7 0.8 CD1 A:TYI127 3.0 76.9 0.2 CD1 A:TYI127 3.0 72.8 0.8 CZ A:TYI127 3.1 94.2 0.2 CZ A:TYI127 3.2 90.9 0.8 OH A:TYI127 3.4 0.2 0.2 OH A:TYI127 3.4 97.2 0.8 O A:GLU125 4.0 18.9 1.0 CB A:PRO178 4.2 21.3 1.0 CG A:TYI127 4.3 48.4 0.8 CG A:TYI127 4.3 53.2 0.2 CB A:TYI124 4.4 17.9 1.0 CE2 A:TYI127 4.5 84.0 0.2 CE2 A:TYI127 4.5 80.3 0.8 CD1 A:TYI124 4.7 19.7 1.0 CD2 A:TYI127 4.9 70.2 0.2 CD2 A:TYI127 4.9 65.9 0.8

Iodine binding site 4 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:I127 b:0.8 occ:0.20 I1 A:TYI127 0.0 0.8 0.2 I1 A:TYI127 0.1 97.8 0.8 CE1 A:TYI127 2.1 92.5 0.2 CE1 A:TYI127 2.1 88.7 0.8 CD1 A:TYI127 3.0 76.9 0.2 CD1 A:TYI127 3.0 72.8 0.8 CZ A:TYI127 3.1 94.2 0.2 CZ A:TYI127 3.2 90.9 0.8 OH A:TYI127 3.3 0.2 0.2 OH A:TYI127 3.4 97.2 0.8 O A:GLU125 4.0 18.9 1.0 CB A:PRO178 4.3 21.3 1.0 CG A:TYI127 4.3 48.4 0.8 CG A:TYI127 4.3 53.2 0.2 CE2 A:TYI127 4.5 84.0 0.2 CB A:TYI124 4.5 17.9 1.0 CE2 A:TYI127 4.5 80.3 0.8 CD1 A:TYI124 4.8 19.7 1.0 CD2 A:TYI127 4.9 70.2 0.2 CD2 A:TYI127 4.9 65.9 0.8

Iodine binding site 5 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:I1 b:35.6 occ:0.30 I B:IOD1 0.0 35.6 0.3 I B:IOD1 1.8 33.7 0.3 O B:HOH2079 3.4 39.3 1.0 O B:PRO178 3.5 38.4 1.0 C B:PRO178 3.5 37.2 1.0 I B:IOD1 4.5 27.3 0.3 CA B:PRO178 4.9 36.4 1.0

Iodine binding site 6 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:I1 b:33.7 occ:0.30 I B:IOD1 0.0 33.7 0.3 I B:IOD1 1.8 35.6 0.3 O B:HOH2079 2.2 39.3 1.0 I B:IOD1 3.6 27.3 0.3 O B:PRO178 3.9 38.4 1.0 C B:PRO178 4.2 37.2 1.0 I B:IOD2 4.6 33.0 0.3

Iodine binding site 7 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:I1 b:27.3 occ:0.30 I B:IOD1 0.0 27.3 0.3 I B:IOD1 3.6 33.7 0.3 O B:HOH2042 3.7 33.1 1.0 O B:HOH2079 4.0 39.3 1.0 I B:IOD1 4.5 35.6 0.3

Iodine binding site 8 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:27.9 occ:0.30 I B:IOD2 0.0 27.9 0.3 I B:IOD2 1.6 33.0 0.3 I B:IOD2 2.2 29.6 0.3 OH B:TYR92 3.0 32.1 1.0 CZ B:TYR92 3.6 32.1 1.0 CE1 B:TYR92 3.8 32.1 1.0 O B:HOH2079 3.9 39.3 1.0 CG2 B:THR177 4.1 37.6 1.0 CB B:THR177 4.2 36.7 1.0 O B:HOH2038 4.5 41.6 1.0 CE2 B:TYR92 4.6 28.0 1.0 CD B:PRO178 4.7 35.5 1.0 CD1 B:TYR92 4.9 30.6 1.0 OG1 B:THR177 4.9 37.8 1.0

Iodine binding site 9 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:29.6 occ:0.30 I B:IOD2 0.0 29.6 0.3 I B:IOD2 2.2 27.9 0.3 O B:HOH2038 2.4 41.6 1.0 CE1 B:TYR92 3.3 32.1 1.0 OH B:TYR92 3.5 32.1 1.0 I B:IOD2 3.5 33.0 0.3 CB B:SER122 3.7 40.0 1.0 CZ B:TYR92 3.8 32.1 1.0 OG B:SER122 4.1 40.6 1.0 CD1 B:TYR92 4.3 30.6 1.0 C B:SER122 4.5 40.5 1.0 O B:HOH2042 4.5 33.1 1.0 CA B:SER122 4.6 40.1 1.0 O B:HOH2079 5.0 39.3 1.0

Iodine binding site 10 out of 12 in the Structure of Iodinated CBM25 From Bacillus Halodurans Amylase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of Iodinated CBM25 From Bacillus Halodurans Amylase within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:33.0 occ:0.30 I B:IOD2 0.0 33.0 0.3 I B:IOD2 1.6 27.9 0.3 O B:HOH2079 2.7 39.3 1.0 I B:IOD2 3.5 29.6 0.3 CB B:THR177 3.6 36.7 1.0 CG2 B:THR177 3.8 37.6 1.0 OG1 B:THR177 3.9 37.8 1.0 OH B:TYR92 4.3 32.1 1.0 CD B:PRO178 4.5 35.5 1.0 I B:IOD1 4.6 33.7 0.3 CZ B:TYR92 4.8 32.1 1.0 CE1 B:TYR92 5.0 32.1 1.0

A.B.Boraston, M.Healey, J.Klassen, E.Ficko-Blean, A.Lammerts Van Bueren, V.Law. A Structural and Functional Analysis of Alpha- Glucan Recognition By Family 25 and 26 Carbohydrate-Binding Modules Reveals A Conserved Mode of Starch Recognition J.Biol.Chem. V. 281 587 2006.
ISSN: ISSN 0021-9258
PubMed: 16230347
DOI: 10.1074/JBC.M509958200