Iodine in PDB 3etg: Glutamate Dehydrogenase Complexed with GW5074

The structure of Glutamate Dehydrogenase Complexed with GW5074, PDB code: 3etg was solved by M.Li, T.J.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	122.300, 102.200, 167.700, 90.00, 102.50, 90.00
R / Rfree (%)	24.4 / 25.8

The structure of Glutamate Dehydrogenase Complexed with GW5074 also contains other interesting chemical elements:

Bromine

(Br)

12 atoms

The binding sites of Iodine atom in the Glutamate Dehydrogenase Complexed with GW5074 (pdb code 3etg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Glutamate Dehydrogenase Complexed with GW5074, PDB code: 3etg:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range: probe atom residue distance (Å) B Occ A:I552 b:0.8 occ:1.00 IAE A:GWD552 0.0 0.8 1.0 CAN A:GWD552 2.1 0.9 1.0 CAG A:GWD552 3.0 0.1 1.0 CAK A:GWD552 3.0 0.2 1.0 OE2 A:GLU142 4.1 46.6 1.0 CAJ A:GWD552 4.3 95.2 1.0 CAU A:GWD552 4.4 97.0 1.0 BRAD A:GWD552 4.4 0.3 1.0 CD A:GLU142 4.5 47.4 1.0 CG A:LYS143 4.5 49.2 1.0 CD A:ARG146 4.5 34.6 1.0 CG A:GLU142 4.7 45.7 1.0 NE A:ARG146 4.7 35.7 1.0 CAI A:GWD552 4.9 0.5 1.0 CAT A:GWD552 4.9 93.7 1.0 CA A:LYS143 4.9 44.1 1.0

Iodine binding site 2 out of 6 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range: probe atom residue distance (Å) B Occ B:I552 b:0.1 occ:1.00 IAE B:GWD552 0.0 0.1 1.0 CAN B:GWD552 2.1 0.8 1.0 CAK B:GWD552 3.0 0.9 1.0 CAG B:GWD552 3.0 1.0 1.0 CAJ B:GWD552 4.3 95.0 1.0 CAU B:GWD552 4.4 96.4 1.0 OE2 B:GLU142 4.4 46.4 1.0 BRAD B:GWD552 4.4 0.3 1.0 CD B:ARG146 4.4 32.4 1.0 CG B:LYS143 4.5 49.7 1.0 NE B:ARG146 4.8 35.3 1.0 CD B:GLU142 4.8 45.9 1.0 CAI B:GWD552 4.9 0.8 1.0 CAT B:GWD552 4.9 92.8 1.0 CA B:LYS143 4.9 43.5 1.0 CG B:GLU142 5.0 44.0 1.0

Iodine binding site 3 out of 6 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range: probe atom residue distance (Å) B Occ C:I552 b:0.6 occ:1.00 IAE C:GWD552 0.0 0.6 1.0 CAN C:GWD552 2.1 0.3 1.0 CAG C:GWD552 3.0 0.9 1.0 CAK C:GWD552 3.1 0.3 1.0 OE2 C:GLU142 3.8 43.1 1.0 CD C:ARG146 4.0 32.8 1.0 NE C:ARG146 4.2 33.5 1.0 CD C:GLU142 4.2 42.1 1.0 CAJ C:GWD552 4.3 95.1 1.0 CG C:GLU142 4.4 41.8 1.0 CAU C:GWD552 4.4 96.5 1.0 BRAD C:GWD552 4.5 0.6 1.0 CG C:LYS143 4.6 49.3 1.0 CA C:LYS143 4.8 43.0 1.0 CAT C:GWD552 4.9 92.7 1.0 N C:LYS143 4.9 43.0 1.0 CAI C:GWD552 4.9 0.1 1.0

Iodine binding site 4 out of 6 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range: probe atom residue distance (Å) B Occ D:I552 b:0.9 occ:1.00 IAE D:GWD552 0.0 0.9 1.0 CAN D:GWD552 2.1 0.1 1.0 CAG D:GWD552 3.0 0.8 1.0 CAK D:GWD552 3.1 0.8 1.0 OE2 D:GLU142 4.2 43.5 1.0 CD D:ARG146 4.3 32.8 1.0 CAJ D:GWD552 4.3 93.8 1.0 CAU D:GWD552 4.4 95.2 1.0 BRAD D:GWD552 4.5 0.9 1.0 NE D:ARG146 4.6 33.8 1.0 CG D:LYS143 4.6 48.6 1.0 CD D:GLU142 4.7 43.5 1.0 CG D:GLU142 4.8 42.4 1.0 CAT D:GWD552 4.9 91.1 1.0 CA D:LYS143 4.9 41.1 1.0 CAI D:GWD552 4.9 1.0 1.0

Iodine binding site 5 out of 6 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range: probe atom residue distance (Å) B Occ E:I552 b:0.6 occ:1.00 IAE E:GWD552 0.0 0.6 1.0 CAN E:GWD552 2.1 0.6 1.0 CAK E:GWD552 3.0 0.6 1.0 CAG E:GWD552 3.0 0.1 1.0 OE2 E:GLU142 3.9 51.1 1.0 CD E:ARG146 4.1 33.2 1.0 NE E:ARG146 4.3 35.4 1.0 CAU E:GWD552 4.4 97.5 1.0 CAJ E:GWD552 4.4 96.1 1.0 BRAD E:GWD552 4.4 0.7 1.0 CD E:GLU142 4.5 49.6 1.0 CG E:GLU142 4.8 47.6 1.0 CAI E:GWD552 4.9 0.8 1.0 CAT E:GWD552 4.9 93.7 1.0 BRAD A:GWD552 4.9 0.3 1.0

Iodine binding site 6 out of 6 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range: probe atom residue distance (Å) B Occ F:I552 b:0.9 occ:1.00 IAE F:GWD552 0.0 0.9 1.0 CAN F:GWD552 2.1 0.9 1.0 CAG F:GWD552 3.0 0.3 1.0 CAK F:GWD552 3.1 0.7 1.0 OE2 F:GLU142 4.0 45.7 1.0 CD F:ARG146 4.2 33.1 1.0 CAJ F:GWD552 4.3 94.4 1.0 CAU F:GWD552 4.4 95.4 1.0 NE F:ARG146 4.4 35.0 1.0 BRAD F:GWD552 4.5 0.9 1.0 CD F:GLU142 4.5 43.9 1.0 CG F:GLU142 4.8 42.8 1.0 CG F:LYS143 4.8 48.5 1.0 CAT F:GWD552 4.9 91.7 1.0 CAI F:GWD552 4.9 0.0 1.0

M.Li, C.J.Smith, M.T.Walker, T.J.Smith. Novel Inhibitors Complexed with Glutamate Dehydrogenase: Allosteric Regulation By Control of Protein Dynamics J.Biol.Chem. V. 284 22988 2009.
ISSN: ISSN 0021-9258
PubMed: 19531491
DOI: 10.1074/JBC.M109.020222