Chlorine in PDB 3ete: Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene

All present enzymatic activity of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene:
1.4.1.3;

The structure of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene, PDB code: 3ete 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 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	123.374, 101.577, 166.873, 90.00, 102.34, 90.00
R / Rfree (%)	24 / 26.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene (pdb code 3ete). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 36 binding sites of Chlorine where determined in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene, PDB code: 3ete:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.5 occ:1.00 CLAC A:H3P552 0.0 0.5 1.0 CAL A:H3P552 1.7 0.5 1.0 CAI A:H3P552 2.7 0.1 1.0 CAP A:H3P552 2.7 0.9 1.0 OAA A:H3P552 2.9 0.4 1.0 CG1 E:ILE187 3.5 84.1 1.0 CE E:MET150 3.6 98.0 1.0 CG E:LYS154 4.0 73.4 1.0 CAN A:H3P552 4.0 0.9 1.0 CAT A:H3P552 4.0 0.3 1.0 SD E:MET150 4.3 0.6 1.0 O A:THR186 4.4 81.4 1.0 CG2 E:ILE187 4.4 81.0 1.0 CB E:ALA153 4.4 71.6 1.0 N E:LYS154 4.5 71.9 1.0 CB E:ILE187 4.5 82.0 1.0 C A:THR186 4.5 81.2 1.0 CAR A:H3P552 4.5 0.9 1.0 CA A:THR186 4.5 80.1 1.0 CD1 E:ILE187 4.6 84.6 1.0 CA E:LYS154 4.6 70.2 1.0 CB A:THR186 4.7 79.1 1.0 O A:HOH560 4.8 73.1 1.0 CB E:LYS154 4.9 72.1 1.0 CD E:LYS154 4.9 74.0 1.0 CA E:ILE187 4.9 81.5 1.0 O E:MET150 5.0 80.3 1.0

Chlorine binding site 2 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.3 occ:1.00 CLAE A:H3P552 0.0 0.3 1.0 CAN A:H3P552 1.7 0.9 1.0 CAI A:H3P552 2.7 0.1 1.0 CAR A:H3P552 2.7 0.9 1.0 CD1 A:TYR190 3.0 77.0 1.0 CLAG A:H3P552 3.1 0.6 1.0 CE1 A:TYR190 3.2 77.9 1.0 CAL A:H3P552 4.0 0.5 1.0 CG A:TYR190 4.0 76.4 1.0 CAT A:H3P552 4.0 0.3 1.0 CB A:HIS189 4.2 80.2 1.0 O A:THR186 4.3 81.4 1.0 CAJ B:H3P552 4.3 0.5 1.0 O A:ILE187 4.3 80.3 1.0 CZ A:TYR190 4.3 78.0 1.0 N A:TYR190 4.4 77.3 1.0 CAO B:H3P552 4.4 0.0 1.0 CAP A:H3P552 4.5 0.9 1.0 CB A:TYR190 4.5 75.8 1.0 CLAF B:H3P552 4.5 0.2 1.0 N A:HIS189 4.7 78.6 1.0 CA A:HIS189 4.8 79.1 1.0 CD2 A:TYR190 4.9 75.4 1.0 C A:HIS189 4.9 77.8 1.0 CAM B:H3P552 5.0 0.6 1.0

Chlorine binding site 3 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.6 occ:1.00 CLAG A:H3P552 0.0 0.6 1.0 CAR A:H3P552 1.7 0.9 1.0 CAN A:H3P552 2.7 0.9 1.0 CAT A:H3P552 2.7 0.3 1.0 OAB A:H3P552 3.0 0.3 1.0 CAK A:H3P552 3.1 0.0 1.0 CLAE A:H3P552 3.1 0.3 1.0 O A:ILE187 3.2 80.3 1.0 CAQ A:H3P552 3.9 0.3 1.0 CAU A:H3P552 4.0 0.2 1.0 CAP A:H3P552 4.0 0.9 1.0 CAI A:H3P552 4.0 0.1 1.0 C A:ILE187 4.1 79.8 1.0 CA A:ILE187 4.4 81.2 1.0 CAL A:H3P552 4.5 0.5 1.0 CG2 A:ILE187 4.7 83.3 1.0 CLAD B:H3P552 4.8 0.1 1.0 O A:THR186 4.9 81.4 1.0

Chlorine binding site 4 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.4 occ:1.00 CLAH A:H3P552 0.0 0.4 1.0 CAS A:H3P552 1.7 0.4 1.0 CAO A:H3P552 2.7 0.8 1.0 CAU A:H3P552 2.7 0.2 1.0 O A:HOH560 3.0 73.1 1.0 CAK A:H3P552 3.1 0.0 1.0 CLAF A:H3P552 3.1 0.4 1.0 OAA A:H3P552 3.4 0.4 1.0 O E:THR186 3.9 82.4 1.0 CAJ A:H3P552 4.0 0.7 1.0 CAQ A:H3P552 4.0 0.3 1.0 CG1 A:ILE187 4.0 86.3 1.0 CG2 A:ILE187 4.1 83.3 1.0 CAT A:H3P552 4.2 0.3 1.0 CAP A:H3P552 4.3 0.9 1.0 C E:THR186 4.3 82.1 1.0 CAM A:H3P552 4.5 1.0 1.0 CB A:ILE187 4.5 83.5 1.0 CLAG D:H3P552 4.5 1.0 1.0 CG A:LYS154 4.7 71.7 1.0 CA A:ILE187 4.8 81.2 1.0 CA E:THR186 4.8 81.3 1.0 N E:ILE187 4.8 82.1 1.0 CE A:MET150 5.0 95.3 1.0 CA A:LYS154 5.0 71.0 1.0

Chlorine binding site 5 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.4 occ:1.00 CLAF A:H3P552 0.0 0.4 1.0 CAO A:H3P552 1.7 0.8 1.0 CAJ A:H3P552 2.7 0.7 1.0 CAS A:H3P552 2.7 0.4 1.0 CLAH A:H3P552 3.1 0.4 1.0 O E:THR186 3.4 82.4 1.0 CB E:HIS189 3.5 81.5 1.0 CE1 E:TYR190 4.0 77.2 1.0 CAM A:H3P552 4.0 1.0 1.0 CAU A:H3P552 4.0 0.2 1.0 CLAG D:H3P552 4.1 1.0 1.0 CD1 E:TYR190 4.2 76.2 1.0 CG E:HIS189 4.2 84.3 1.0 CA A:LYS154 4.3 71.0 1.0 CG A:LYS154 4.3 71.7 1.0 CD2 E:HIS189 4.5 85.3 1.0 CAQ A:H3P552 4.5 0.3 1.0 CB A:LYS154 4.5 70.2 1.0 CA E:HIS189 4.5 79.7 1.0 C E:THR186 4.6 82.1 1.0 N E:HIS189 4.6 78.3 1.0 O A:LYS154 4.6 71.7 1.0 CZ E:TYR190 4.7 76.5 1.0 CAK D:H3P552 4.7 0.1 1.0 CD A:LYS154 4.8 71.8 1.0 O E:ILE187 4.8 81.0 1.0 C A:LYS154 4.9 70.9 1.0 CG E:TYR190 5.0 74.6 1.0 N E:TYR190 5.0 78.5 1.0

Chlorine binding site 6 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:0.8 occ:1.00 CLAD A:H3P552 0.0 0.8 1.0 CAM A:H3P552 1.7 1.0 1.0 CAJ A:H3P552 2.7 0.7 1.0 CAQ A:H3P552 2.7 0.3 1.0 OAB A:H3P552 2.9 0.3 1.0 O E:ILE187 3.9 81.0 1.0 CAO A:H3P552 4.0 0.8 1.0 CAU A:H3P552 4.0 0.2 1.0 CLAD B:H3P552 4.1 0.1 1.0 OAB D:H3P552 4.2 0.3 1.0 CAS A:H3P552 4.5 0.4 1.0 CAK D:H3P552 4.8 0.1 1.0

Chlorine binding site 7 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.5 occ:1.00 CLAC B:H3P552 0.0 0.5 1.0 CAL B:H3P552 1.7 0.4 1.0 CAI B:H3P552 2.7 0.8 1.0 CAP B:H3P552 2.7 0.4 1.0 OAA B:H3P552 3.0 0.0 1.0 CB A:TYR190 3.9 75.8 1.0 CAN B:H3P552 4.0 1.0 1.0 CAT B:H3P552 4.0 1.0 1.0 CG A:TYR190 4.4 76.4 1.0 CD1 A:TYR190 4.5 77.0 1.0 CAR B:H3P552 4.5 0.9 1.0 O B:HOH559 4.7 87.9 1.0

Chlorine binding site 8 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.7 occ:1.00 CLAE B:H3P552 0.0 0.7 1.0 CAN B:H3P552 1.7 1.0 1.0 CAI B:H3P552 2.7 0.8 1.0 CAR B:H3P552 2.7 0.9 1.0 CLAG B:H3P552 3.2 0.6 1.0 OH B:TYR183 3.5 72.0 1.0 O B:ILE158 3.5 67.0 1.0 CAL B:H3P552 4.0 0.4 1.0 CAT B:H3P552 4.0 1.0 1.0 O B:ALA153 4.3 70.0 1.0 CG2 B:ILE187 4.3 81.7 1.0 CE1 B:TYR183 4.4 72.9 1.0 CZ B:TYR183 4.4 73.8 1.0 CAP B:H3P552 4.5 0.4 1.0 O B:HOH559 4.7 87.9 1.0 CA B:GLY159 4.7 67.6 1.0 C B:ILE158 4.7 65.4 1.0 CD2 A:TYR190 4.7 75.4 1.0 CE2 A:TYR190 4.8 77.1 1.0 CG2 B:VAL162 4.9 72.3 1.0 CA B:GLY156 4.9 69.0 1.0 CG A:TYR190 5.0 76.4 1.0

Chlorine binding site 9 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.6 occ:1.00 CLAG B:H3P552 0.0 0.6 1.0 CAR B:H3P552 1.7 0.9 1.0 CAT B:H3P552 2.7 1.0 1.0 CAN B:H3P552 2.7 1.0 1.0 CAK B:H3P552 3.0 0.0 1.0 CLAH B:H3P552 3.2 0.6 1.0 CLAE B:H3P552 3.2 0.7 1.0 O B:ALA153 3.3 70.0 1.0 CG2 B:ILE187 3.8 81.7 1.0 CAP B:H3P552 4.0 0.4 1.0 CAI B:H3P552 4.0 0.8 1.0 CAU B:H3P552 4.1 0.2 1.0 C B:ALA153 4.1 70.3 1.0 CAS B:H3P552 4.2 0.7 1.0 CAS C:H3P554 4.4 0.4 1.0 CLAH C:H3P554 4.4 0.1 1.0 CAL B:H3P552 4.5 0.4 1.0 CA B:LYS154 4.6 68.7 1.0 N B:LYS154 4.7 70.0 1.0 CAO C:H3P554 4.7 0.9 1.0 CLAF C:H3P554 4.7 0.6 1.0 C B:LYS154 4.8 69.3 1.0 O B:LYS154 4.9 69.8 1.0 CA B:ALA153 4.9 71.2 1.0 CAU C:H3P554 5.0 0.0 1.0

Chlorine binding site 10 out of 36 in the Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Bovine Glutamate Dehydrogenase Complexed with Hexachlorophene within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:0.6 occ:1.00 CLAH B:H3P552 0.0 0.6 1.0 CAS B:H3P552 1.7 0.7 1.0 CAU B:H3P552 2.7 0.2 1.0 CAO B:H3P552 2.7 0.0 1.0 CAK B:H3P552 3.0 0.0 1.0 CLAF B:H3P552 3.1 0.2 1.0 CLAG B:H3P552 3.2 0.6 1.0 CAR B:H3P552 3.4 0.9 1.0 CAT B:H3P552 3.4 1.0 1.0 CE1 A:TYR190 3.8 77.9 1.0 CE1 C:TYR190 3.9 79.1 1.0 CAQ B:H3P552 4.0 0.6 1.0 OH A:TYR190 4.0 78.7 1.0 CAJ B:H3P552 4.0 0.5 1.0 CZ A:TYR190 4.1 78.0 1.0 OH C:TYR190 4.1 78.3 1.0 O B:LYS154 4.3 69.8 1.0 CAN B:H3P552 4.4 1.0 1.0 CAP B:H3P552 4.4 0.4 1.0 CZ C:TYR190 4.5 78.3 1.0 CAM B:H3P552 4.5 0.6 1.0 N B:GLY156 4.6 68.1 1.0 CD1 A:TYR190 4.7 77.0 1.0 O B:ALA153 4.7 70.0 1.0 CA B:GLY156 4.9 69.0 1.0 C B:LYS154 4.9 69.3 1.0 CD1 C:TYR190 4.9 79.0 1.0 OAA B:H3P552 5.0 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