Iodine in PDB 1u12: M. Loti Cyclic Nucleotide Binding Domain Mutant

The structure of M. Loti Cyclic Nucleotide Binding Domain Mutant, PDB code: 1u12 was solved by G.M.Clayton, W.R.Silverman, L.Heginbotham, J.H.Morais-Cabral, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.39 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.126, 57.126, 193.037, 90.00, 90.00, 90.00
R / Rfree (%)	25.3 / 28.1

The structure of M. Loti Cyclic Nucleotide Binding Domain Mutant also contains other interesting chemical elements:

Potassium

(K)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 31;

Binding sites:

The binding sites of Iodine atom in the M. Loti Cyclic Nucleotide Binding Domain Mutant (pdb code 1u12). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 31 binding sites of Iodine where determined in the M. Loti Cyclic Nucleotide Binding Domain Mutant, PDB code: 1u12:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I356 b:53.8 occ:0.48 N A:LYS238 3.5 43.7 1.0 CA A:LYS238 4.1 45.8 1.0 C A:GLN237 4.5 41.9 1.0 CA A:GLN237 4.7 41.6 1.0 CG A:GLN237 5.0 42.6 1.0 CB A:LYS238 5.0 46.7 1.0

Iodine binding site 2 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I411 b:65.9 occ:0.45 NH2 A:ARG271 3.3 30.1 1.0 NH1 A:ARG271 4.2 30.6 1.0 CZ A:ARG271 4.2 29.8 1.0 CE1 A:HIS323 4.6 39.9 1.0

Iodine binding site 3 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I511 b:51.5 occ:0.35 OG A:SER281 3.1 34.4 1.0 CB A:PRO287 3.6 32.0 1.0 O A:VAL288 3.9 34.3 1.0 C A:VAL288 4.0 34.0 1.0 C A:PRO287 4.1 32.2 1.0 CB A:SER281 4.2 27.9 1.0 N A:GLU289 4.2 34.1 1.0 O A:PRO287 4.2 30.6 1.0 N A:VAL288 4.3 32.8 1.0 CB A:GLU289 4.3 34.7 1.0 CG A:GLU289 4.4 36.5 1.0 CA A:GLU289 4.5 34.0 1.0 CA A:PRO287 4.5 31.8 1.0 CA A:VAL288 4.5 33.0 1.0 CA A:SER281 4.6 28.6 1.0 CG A:PRO287 4.8 31.4 1.0

Iodine binding site 4 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I611 b:57.7 occ:0.55 NH1 A:ARG307 3.7 30.5 1.0 O A:ILE262 3.8 24.8 1.0 CZ A:PHE273 4.0 20.9 1.0 CB A:CYS263 4.1 28.0 1.0 CD A:ARG271 4.2 27.2 1.0 NE A:ARG271 4.2 29.0 1.0 O4 A:SO4145 4.2 26.1 0.6 OE2 A:GLU267 4.4 37.6 1.0 CE1 A:PHE273 4.5 22.0 1.0 OD1 A:ASP270 4.5 30.2 1.0 CZ A:ARG271 4.5 29.8 1.0 CG A:ARG271 4.5 27.8 1.0 CA A:CYS263 4.7 27.1 1.0 C A:ILE262 4.8 24.0 1.0 NH1 A:ARG271 4.8 30.6 1.0 CZ A:ARG307 4.9 28.5 1.0

Iodine binding site 5 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I711 b:59.7 occ:0.38 NH1 A:ARG249 2.8 37.7 1.0 CD1 A:PHE223 3.5 39.2 1.0 CZ A:ARG249 3.9 42.1 1.0 CG1 A:VAL248 4.0 26.7 1.0 CD A:ARG249 4.0 42.5 1.0 CE1 A:PHE223 4.2 38.9 1.0 ND2 A:ASN226 4.2 29.6 1.0 O A:VAL248 4.3 30.1 1.0 NE A:ARG249 4.3 43.0 1.0 CA A:PHE223 4.3 40.6 1.0 CG A:PHE223 4.4 39.0 1.0 CB A:PHE223 4.5 39.9 1.0 NH2 A:ARG249 4.8 43.4 1.0 N A:PHE223 5.0 43.0 1.0

Iodine binding site 6 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I811 b:58.6 occ:0.32 CD2 A:LEU229 3.7 27.7 1.0 N A:GLY293 3.8 27.4 1.0 CA A:GLY293 3.8 27.7 1.0 C A:PRO292 3.8 26.2 1.0 O A:PRO292 3.9 26.4 1.0 CB A:PRO292 4.2 24.6 1.0 CA A:PRO292 4.6 24.8 1.0 CG A:LEU229 5.0 28.4 1.0

Iodine binding site 7 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I132 b:64.8 occ:0.55 NE2 A:GLN328 3.0 51.3 1.0 CB A:ALA325 3.6 43.0 1.0 N A:ALA325 3.6 40.5 1.0 CA A:ALA325 3.7 42.3 1.0 OG A:SER324 3.8 41.9 1.0 CB A:SER324 4.3 38.0 1.0 CD A:GLN328 4.3 50.5 1.0 C A:SER324 4.3 38.3 1.0 O A:SER324 4.9 37.7 1.0 CA A:SER324 4.9 37.0 1.0 OE1 A:GLN328 5.0 53.8 1.0

Iodine binding site 8 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I142 b:35.6 occ:0.86 CA A:PRO285 4.7 26.6 1.0 O A:PRO285 4.8 27.3 1.0 CB A:PRO285 4.9 27.1 1.0

Iodine binding site 9 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I152 b:50.1 occ:0.58 O B:HOH6 3.6 22.5 1.0 NE1 B:TRP227 3.9 28.9 1.0 CG2 A:VAL224 4.0 37.5 1.0 CD1 B:TRP227 4.1 29.0 1.0 O A:ARG220 4.3 50.6 1.0 CG B:GLN228 4.3 33.4 1.0 CA A:GLY221 4.4 49.1 1.0 C A:ARG220 4.7 51.0 1.0 CB B:ALA231 4.7 21.7 1.0 N A:GLY221 4.8 50.6 1.0 CB A:VAL224 4.9 37.4 1.0

Iodine binding site 10 out of 31 in the M. Loti Cyclic Nucleotide Binding Domain Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of M. Loti Cyclic Nucleotide Binding Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:I192 b:67.4 occ:0.54 OG A:SER303 2.6 39.1 1.0 CG2 A:ILE302 3.9 33.0 1.0 CB A:SER303 4.0 39.1 1.0 O A:ILE302 4.1 35.9 1.0 CD2 A:LEU346 4.1 26.4 1.0 CD1 A:LEU346 4.5 25.6 1.0 C A:ILE302 4.5 36.3 1.0 CA A:SER303 4.6 39.8 1.0 CG A:LEU346 4.8 29.2 1.0 N A:SER303 4.8 38.2 1.0 CE A:MET299 4.9 12.2 1.0

G.M.Clayton, W.R.Silverman, L.Heginbotham, J.H.Morais-Cabral. Structural Basis of Ligand Activation in A Cyclic Nucleotide Regulated Potassium Channel Cell(Cambridge,Mass.) V. 119 615 2004.
ISSN: ISSN 0092-8674
PubMed: 15550244
DOI: 10.1016/J.CELL.2004.10.030