Iodine in PDB 3bca: Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak

The structure of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak, PDB code: 3bca was solved by O.M.Ganichkin, M.C.Wahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.25
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	59.222, 138.371, 141.520, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 74;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak (pdb code 3bca). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 74 binding sites of Iodine where determined in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak, PDB code: 3bca:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


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 Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:56.4 occ:0.70 O A:HOH797 2.5 35.4 1.0 NH2 A:ARG75 3.6 19.4 1.0 CD A:ARG75 3.8 24.4 1.0 CD A:ARG313 4.0 35.8 1.0 CG A:ARG313 4.2 29.8 1.0 NZ A:LYS107 4.5 41.5 1.0 CZ A:ARG75 4.6 21.7 1.0 NH2 A:ARG313 4.6 40.5 1.0 NE A:ARG75 4.7 22.1 1.0 CD A:LYS107 4.9 38.9 1.0 CG A:ARG75 4.9 23.5 1.0 NE A:ARG313 5.0 40.5 1.0

Iodine binding site 2 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


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 Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:61.9 occ:0.70 O A:HOH624 3.1 28.5 1.0 O A:HOH626 3.4 36.4 1.0 N A:LYS173 3.4 27.0 1.0 O A:HOH663 3.4 22.4 1.0 CA A:GLN172 3.9 27.4 1.0 CG A:LYS173 3.9 29.7 1.0 CB A:LYS173 4.0 27.8 1.0 C A:GLN172 4.2 27.5 1.0 O A:HOH609 4.3 22.6 1.0 CD A:GLN172 4.3 31.7 1.0 CA A:LYS173 4.3 27.4 1.0 CG A:GLN172 4.4 29.2 1.0 CD A:LYS173 4.4 32.5 1.0 NE2 A:GLN172 4.4 34.1 1.0 O A:ASP171 4.5 27.3 1.0 O A:HOH810 4.6 39.0 1.0 OE1 A:GLN172 4.6 32.7 1.0 CB A:GLN172 4.7 27.5 1.0 N A:GLN172 4.9 27.1 1.0 CE A:LYS173 4.9 36.0 1.0

Iodine binding site 3 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


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 Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:26.9 occ:1.00 N A:GLY312 3.4 24.7 1.0 CA A:GLY312 4.1 25.1 1.0 O A:HOH697 4.2 28.9 1.0 CA A:PRO311 4.3 24.5 1.0 C A:PRO311 4.4 24.8 1.0 O A:TYR310 4.6 24.2 1.0 O A:HOH786 5.0 41.1 1.0 C A:GLY312 5.0 25.5 1.0

Iodine binding site 4 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


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 Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:38.6 occ:1.00 CB A:GLN365 4.0 25.5 1.0 CD A:PRO367 4.1 26.4 1.0 CG A:PRO367 4.1 26.1 1.0 CG A:GLN365 4.2 25.0 1.0 CB A:PRO367 4.3 26.7 1.0 CA A:GLN365 4.5 25.7 1.0 CD A:GLN365 4.5 24.7 1.0 OE1 A:GLN365 4.8 23.0 1.0 N A:PRO367 4.8 26.2 1.0 C A:GLN365 4.9 25.9 1.0 NE2 A:GLN365 4.9 27.1 1.0

Iodine binding site 5 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I505 b:38.3 occ:1.00 O A:HOH575 3.4 19.4 1.0 NZ A:LYS158 3.5 31.0 1.0 CE A:MET309 3.8 25.4 1.0 CE A:LYS158 3.9 29.8 1.0 CB A:ASP305 4.3 25.3 1.0 CB A:HIS157 4.3 21.9 1.0 OD2 A:ASP305 4.4 27.4 1.0 CG A:ASP305 4.4 25.2 1.0 CD A:LYS158 4.4 27.2 1.0 CG2 A:THR154 4.4 21.4 1.0 O A:THR154 4.5 21.4 1.0 O A:ASP305 5.0 24.6 1.0

Iodine binding site 6 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I506 b:37.7 occ:1.00 CE1 A:TYR245 3.9 26.9 1.0 CD A:PRO214 3.9 27.0 1.0 CG A:PRO214 4.0 27.1 1.0 CG A:GLN210 4.2 30.1 1.0 CD1 A:TYR245 4.3 26.9 1.0 CA A:GLN210 4.3 27.8 1.0 NE2 A:GLN210 4.5 33.0 1.0 CB A:GLN210 4.6 27.9 1.0 CD A:GLN210 4.9 33.1 1.0

Iodine binding site 7 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I507 b:38.9 occ:1.00 NE2 A:GLN399 3.5 34.7 1.0 CG A:GLN399 4.0 28.9 1.0 CD A:GLN399 4.2 32.4 1.0 CB A:GLN399 4.9 28.1 1.0

Iodine binding site 8 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I508 b:29.8 occ:0.70 I A:IOD508 0.0 29.8 0.7 N A:LEU202 3.6 24.5 1.0 O A:HOH681 3.9 32.3 1.0 I A:IOD508 3.9 76.7 0.3 O A:THR200 3.9 23.3 1.0 CB A:LEU202 4.2 24.4 1.0 OD1 A:ASP201 4.2 24.1 1.0 NH1 A:ARG234 4.2 28.9 1.0 CG A:LYS203 4.2 28.0 1.0 N A:LYS203 4.3 25.0 1.0 CA A:ASP201 4.4 24.5 1.0 CA A:LEU202 4.4 24.4 1.0 C A:ASP201 4.4 24.7 1.0 CG A:LEU202 4.6 24.4 1.0 CD1 A:LEU202 4.7 23.7 1.0 C A:LEU202 4.8 24.8 1.0 CG1 A:VAL192 4.8 26.4 1.0 CG2 A:VAL192 4.9 26.8 1.0 CG A:ASP201 4.9 24.6 1.0 C A:THR200 5.0 23.2 1.0

Iodine binding site 9 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I508 b:76.7 occ:0.30 I A:IOD508 0.0 76.7 0.3 CZ A:ARG234 3.7 30.8 1.0 NE A:ARG234 3.9 29.8 1.0 I A:IOD508 3.9 29.8 0.7 NH1 A:ARG234 3.9 28.9 1.0 NH2 A:ARG234 3.9 30.4 1.0 CD1 A:LEU202 4.0 23.7 1.0 CD A:ARG234 4.4 25.7 1.0 CG A:LEU202 5.0 24.4 1.0

Iodine binding site 10 out of 74 in the Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Mouse Selenocysteine Synthase, Sodium Iodide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I509 b:41.2 occ:1.00 O A:ALA80 3.5 20.1 1.0 O A:HOH621 3.9 20.0 1.0 C A:ALA80 3.9 20.4 1.0 CA A:SER81 4.1 20.8 1.0 N A:SER81 4.2 21.0 1.0 CB A:SER81 4.4 20.4 1.0 CB A:ALA80 4.5 20.1 1.0 CA A:ALA80 4.8 20.3 1.0 O A:HOH791 5.0 33.2 1.0

O.M.Ganichkin, X.M.Xu, B.A.Carlson, H.Mix, D.L.Hatfield, V.N.Gladyshev, M.C.Wahl. Structure and Catalytic Mechanism of Eukaryotic Selenocysteine Synthase. J.Biol.Chem. V. 283 5849 2008.
ISSN: ISSN 0021-9258
PubMed: 18093968
DOI: 10.1074/JBC.M709342200