Chlorine in PDB 3etd: Structure of Glutamate Dehydrogenase Complexed with Bithionol

The structure of Structure of Glutamate Dehydrogenase Complexed with Bithionol, PDB code: 3etd 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)	48.34 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	122.380, 101.300, 166.590, 90.00, 102.46, 90.00
R / Rfree (%)	23.9 / 25.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Chlorine atom in the Structure of Glutamate Dehydrogenase Complexed with Bithionol (pdb code 3etd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 24 binding sites of Chlorine where determined in the Structure of Glutamate Dehydrogenase Complexed with Bithionol, PDB code: 3etd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.4 occ:1.00 CLAE A:B1T552 0.0 0.4 1.0 CAN A:B1T552 1.7 0.6 1.0 CAP A:B1T552 2.7 0.4 1.0 CAG A:B1T552 2.7 0.7 1.0 OAA A:B1T552 2.9 0.2 1.0 CAR A:B1T552 4.0 0.1 1.0 CAL A:B1T552 4.0 1.0 1.0 CLAE E:B1T552 4.0 0.1 1.0 CG2 E:THR182 4.1 37.6 1.0 CAN E:B1T552 4.3 0.2 1.0 CB E:ARG146 4.4 44.4 1.0 CD E:ARG146 4.5 43.1 1.0 CAI A:B1T552 4.5 0.7 1.0 CG E:MET150 4.6 57.6 1.0 CAP E:B1T552 4.7 0.1 1.0 OG1 E:THR182 4.7 39.4 1.0 CAG E:B1T552 4.8 0.5 1.0 OAB A:B1T552 4.8 0.2 1.0 CAO E:B1T552 4.8 1.0 1.0 CLAF E:B1T552 4.9 0.8 1.0 CG E:ARG146 4.9 44.3 1.0 OAA E:B1T552 4.9 0.8 1.0 O E:ARG146 4.9 47.1 1.0 CB E:THR182 4.9 40.2 1.0

Chlorine binding site 2 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.7 occ:1.00 CLAC A:B1T552 0.0 0.7 1.0 CAL A:B1T552 1.7 1.0 1.0 CAG A:B1T552 2.7 0.7 1.0 CAI A:B1T552 2.7 0.7 1.0 CLAC E:B1T552 3.8 0.7 1.0 CAL E:B1T552 4.0 0.9 1.0 CAR A:B1T552 4.0 0.1 1.0 CAN A:B1T552 4.0 0.6 1.0 CAI E:B1T552 4.0 0.7 1.0 CG E:LYS143 4.0 64.6 1.0 CD E:ARG146 4.2 43.1 1.0 CAJ E:B1T552 4.3 0.3 1.0 CLAD E:B1T552 4.5 0.1 1.0 CAP A:B1T552 4.5 0.4 1.0 CAM E:B1T552 4.5 0.2 1.0 CAG E:B1T552 4.7 0.5 1.0 CA E:LYS143 4.7 55.5 1.0 NE E:ARG146 4.8 44.7 1.0 CAR E:B1T552 4.8 0.6 1.0 CB E:LYS143 4.9 59.6 1.0 CE E:LYS143 4.9 70.9 1.0 CD E:LYS143 4.9 67.2 1.0 OE2 E:GLU142 4.9 60.0 1.0

Chlorine binding site 3 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.4 occ:1.00 CLAD A:B1T552 0.0 0.4 1.0 CAM A:B1T552 1.7 0.1 1.0 CAJ A:B1T552 2.7 0.5 1.0 CAH A:B1T552 2.7 0.8 1.0 OE2 A:GLU142 3.0 59.0 1.0 NH2 A:ARG146 3.2 47.3 1.0 NE A:ARG146 3.6 47.4 1.0 CZ A:ARG146 3.6 48.2 1.0 CAS A:B1T552 4.0 0.2 1.0 CAO A:B1T552 4.0 1.0 1.0 CLAC E:B1T552 4.0 0.7 1.0 CD A:GLU142 4.2 60.5 1.0 CAQ A:B1T552 4.5 0.7 1.0 NH1 A:ARG146 4.6 46.7 1.0 CD A:ARG146 4.6 45.8 1.0 CAG E:B1T552 4.7 0.5 1.0 CAL E:B1T552 4.8 0.9 1.0 OE1 A:GLU142 4.9 63.9 1.0

Chlorine binding site 4 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.4 occ:1.00 CLAF A:B1T552 0.0 0.4 1.0 CAO A:B1T552 1.7 1.0 1.0 CAH A:B1T552 2.7 0.8 1.0 CAQ A:B1T552 2.7 0.7 1.0 OAB A:B1T552 3.0 0.2 1.0 OG A:SER185 3.5 57.3 1.0 CB A:SER185 3.5 52.8 1.0 OD2 A:ASP181 3.5 44.8 1.0 CAM A:B1T552 4.0 0.1 1.0 CAS A:B1T552 4.0 0.2 1.0 CLAE E:B1T552 4.0 0.1 1.0 NH1 A:ARG146 4.1 46.7 1.0 O A:ASP181 4.4 41.0 1.0 CG A:ASP181 4.4 46.8 1.0 CAJ A:B1T552 4.5 0.5 1.0 CZ A:ARG146 4.8 48.2 1.0 OD1 A:ASP181 4.8 48.4 1.0 OAA A:B1T552 4.9 0.2 1.0 CA A:THR182 4.9 41.4 1.0 C A:ASP181 4.9 40.6 1.0

Chlorine binding site 5 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.0 occ:1.00 CLAE B:B1T552 0.0 0.0 1.0 CAN B:B1T552 1.7 0.8 1.0 CAG B:B1T552 2.7 0.3 1.0 CAP B:B1T552 2.7 0.8 1.0 OAA B:B1T552 3.0 0.8 1.0 CG B:MET150 3.0 55.1 1.0 CLAC C:B1T552 3.7 0.0 1.0 CB B:MET150 3.7 49.9 1.0 SD B:MET150 3.8 61.9 1.0 CAL B:B1T552 4.0 0.7 1.0 CAR B:B1T552 4.0 0.6 1.0 CAG C:B1T552 4.1 1.0 1.0 CG2 C:THR186 4.1 49.4 1.0 CE B:MET150 4.1 59.6 1.0 CAL C:B1T552 4.3 0.2 1.0 CAI B:B1T552 4.5 0.2 1.0 CB C:SER185 4.7 49.4 1.0 O C:SER185 4.7 51.7 1.0 OAB B:B1T552 4.8 0.1 1.0

Chlorine binding site 6 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.0 occ:1.00 CLAC B:B1T552 0.0 0.0 1.0 CAL B:B1T552 1.7 0.7 1.0 CAI B:B1T552 2.7 0.2 1.0 CAG B:B1T552 2.7 0.3 1.0 CAO C:B1T552 3.7 0.3 1.0 CAN C:B1T552 3.7 0.2 1.0 CAQ C:B1T552 3.8 0.5 1.0 CAP C:B1T552 3.8 0.8 1.0 CD B:ARG146 4.0 43.6 1.0 CAN B:B1T552 4.0 0.8 1.0 CAR B:B1T552 4.0 0.6 1.0 CAH C:B1T552 4.0 0.8 1.0 CLAE C:B1T552 4.1 0.8 1.0 CAG C:B1T552 4.2 1.0 1.0 OAB C:B1T552 4.2 0.7 1.0 CLAF C:B1T552 4.2 0.5 1.0 OAA C:B1T552 4.2 0.5 1.0 CAS C:B1T552 4.2 0.6 1.0 NH1 B:ARG146 4.2 42.2 1.0 CAR C:B1T552 4.3 0.7 1.0 CAM C:B1T552 4.4 0.8 1.0 CAJ C:B1T552 4.5 0.9 1.0 CAP B:B1T552 4.5 0.8 1.0 OG1 B:THR182 4.6 40.9 1.0 CG2 B:THR182 4.6 41.6 1.0 CAL C:B1T552 4.6 0.2 1.0 NE B:ARG146 4.6 43.3 1.0 CAI C:B1T552 4.7 0.6 1.0 CG B:ARG146 4.7 44.4 1.0 CB B:ARG146 4.7 45.2 1.0 CZ B:ARG146 4.8 45.0 1.0

Chlorine binding site 7 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.4 occ:1.00 CLAD B:B1T552 0.0 0.4 1.0 CAM B:B1T552 1.7 0.4 1.0 CAJ B:B1T552 2.7 0.9 1.0 CAH B:B1T552 2.7 0.2 1.0 CAJ C:B1T552 4.0 0.9 1.0 CAO B:B1T552 4.0 0.2 1.0 CAS B:B1T552 4.0 0.3 1.0 OE2 C:GLU142 4.0 58.0 1.0 CLAD C:B1T552 4.4 0.0 1.0 CG C:LYS143 4.5 63.0 1.0 CAQ B:B1T552 4.5 0.8 1.0 CD C:ARG146 4.5 43.0 1.0 CD C:GLU142 4.6 58.4 1.0 NE C:ARG146 4.6 43.7 1.0 CAM C:B1T552 4.7 0.8 1.0 CG C:GLU142 4.8 56.8 1.0 CE B:LYS143 4.8 70.8 1.0 SAK C:B1T552 4.9 0.4 1.0 CAS C:B1T552 4.9 0.6 1.0 CAI C:B1T552 5.0 0.6 1.0

Chlorine binding site 8 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.4 occ:1.00 CLAF B:B1T552 0.0 0.4 1.0 CAO B:B1T552 1.7 0.2 1.0 CAQ B:B1T552 2.7 0.8 1.0 CAH B:B1T552 2.7 0.2 1.0 OAB B:B1T552 2.9 0.1 1.0 NH2 C:ARG146 3.4 37.1 1.0 CZ C:ARG146 3.7 42.7 1.0 OD2 C:ASP181 4.0 49.6 1.0 CAS B:B1T552 4.0 0.3 1.0 CAM B:B1T552 4.0 0.4 1.0 NE C:ARG146 4.2 43.7 1.0 NH1 C:ARG146 4.2 41.6 1.0 CLAC C:B1T552 4.4 0.0 1.0 CAJ B:B1T552 4.5 0.9 1.0 OE2 C:GLU142 4.6 58.0 1.0 NH1 B:ARG147 4.7 57.5 1.0 OAA B:B1T552 4.9 0.8 1.0

Chlorine binding site 9 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl552 b:0.8 occ:1.00 CLAE C:B1T552 0.0 0.8 1.0 CAN C:B1T552 1.7 0.2 1.0 CAG C:B1T552 2.7 1.0 1.0 CAP C:B1T552 2.7 0.8 1.0 CG C:MET150 2.9 55.8 1.0 OAA C:B1T552 3.0 0.5 1.0 SD C:MET150 3.4 63.6 1.0 CG2 B:THR186 3.6 52.5 1.0 CAL C:B1T552 4.0 0.2 1.0 CB C:MET150 4.0 48.0 1.0 CAR C:B1T552 4.0 0.7 1.0 CLAC B:B1T552 4.1 0.0 1.0 CE C:MET150 4.2 60.6 1.0 CAG B:B1T552 4.3 0.3 1.0 CAI C:B1T552 4.5 0.6 1.0 CAL B:B1T552 4.6 0.7 1.0 CG2 C:THR186 4.7 49.4 1.0 OAB C:B1T552 4.8 0.7 1.0 O B:SER185 4.9 52.9 1.0

Chlorine binding site 10 out of 24 in the Structure of Glutamate Dehydrogenase Complexed with Bithionol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Glutamate Dehydrogenase Complexed with Bithionol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl552 b:0.0 occ:1.00 CLAC C:B1T552 0.0 0.0 1.0 CAL C:B1T552 1.7 0.2 1.0 CAG C:B1T552 2.7 1.0 1.0 CAI C:B1T552 2.7 0.6 1.0 CAN B:B1T552 3.5 0.8 1.0 CLAE B:B1T552 3.7 0.0 1.0 NH1 C:ARG146 3.7 41.6 1.0 CAP B:B1T552 3.8 0.8 1.0 CAG B:B1T552 4.0 0.3 1.0 CAR C:B1T552 4.0 0.7 1.0 CAN C:B1T552 4.0 0.2 1.0 CAO B:B1T552 4.1 0.2 1.0 CAQ B:B1T552 4.1 0.8 1.0 CD C:ARG146 4.1 43.0 1.0 OAA B:B1T552 4.1 0.8 1.0 OAB B:B1T552 4.3 0.1 1.0 CZ C:ARG146 4.4 42.7 1.0 CAR B:B1T552 4.4 0.6 1.0 CLAF B:B1T552 4.4 0.4 1.0 CAH B:B1T552 4.5 0.2 1.0 NE C:ARG146 4.5 43.7 1.0 CAP C:B1T552 4.5 0.8 1.0 CAS B:B1T552 4.5 0.3 1.0 CAL B:B1T552 4.6 0.7 1.0 OG1 C:THR182 4.6 39.4 1.0 CAI B:B1T552 4.8 0.2 1.0 CG2 C:THR182 4.8 39.0 1.0 CA C:THR182 4.8 41.1 1.0 CAM B:B1T552 4.9 0.4 1.0 CAJ B:B1T552 4.9 0.9 1.0 OD2 C:ASP181 5.0 49.6 1.0 CG C:ARG146 5.0 43.3 1.0 CB C:THR182 5.0 40.3 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