Chlorine in PDB 4e01: Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp

Enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp

Protein crystallography data

Other elements in 4e01:

Chlorine Binding Sites:

Chlorine binding site 1 out of 2 in 4e01

Chlorine Binding Sites List in 4e01

Chlorine binding site 1 out of 2 in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp


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 Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:42.7 occ:0.86 CL1 A:0F1401 0.0 42.7 0.9 C2 A:0F1401 1.8 42.0 0.9 C1 A:0F1401 2.7 38.9 0.9 C3 A:0F1401 2.8 32.5 0.9 CD1 A:LEU68 3.6 39.2 1.0 CG2 A:VAL125 3.8 40.5 1.0 CD1 A:LEU128 3.9 43.3 1.0 CA A:VAL125 3.9 41.7 1.0 CG1 A:VAL125 3.9 40.7 1.0 C6 A:0F1401 4.0 41.7 0.9 C4 A:0F1401 4.0 31.6 0.9 CB A:VAL125 4.0 44.5 1.0 CB A:LEU128 4.3 41.2 1.0 CB A:ALA174 4.3 36.6 1.0 CD2 A:LEU106 4.4 44.6 1.0 O A:VAL125 4.4 38.1 1.0 C5 A:0F1401 4.5 33.1 0.9 CD1 A:LEU106 4.5 46.2 1.0 CG A:LEU128 4.7 45.1 1.0 C A:VAL125 4.7 45.0 1.0 N A:VAL125 4.8 44.6 1.0 CG A:LEU106 4.9 48.0 1.0

Chlorine binding site 2 out of 2 in 4e01

Chlorine Binding Sites List in 4e01

Chlorine binding site 2 out of 2 in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp


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 Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:40.3 occ:0.86 CL2 A:0F1401 0.0 40.3 0.9 C8 A:0F1401 1.8 33.3 0.9 C5 A:0F1401 2.9 33.1 0.9 C7 A:0F1401 3.0 40.0 0.9 O2 A:0F1401 3.1 35.8 0.9 C6 A:0F1401 3.3 41.7 0.9 CZ A:TYR99 3.3 42.7 1.0 CE2 A:TYR99 3.3 39.9 1.0 ND1 A:HIS132 3.4 41.1 1.0 C9 A:0F1401 3.5 37.2 0.9 CE1 A:HIS132 3.5 43.9 1.0 OH A:TYR99 3.6 44.5 1.0 CE1 A:TYR99 3.8 40.8 1.0 CD2 A:TYR99 3.8 36.9 1.0 C4 A:0F1401 4.1 31.6 0.9 CD1 A:TYR99 4.2 39.7 1.0 CG A:TYR99 4.3 36.2 1.0 S A:0F1401 4.4 36.6 0.9 CG A:HIS132 4.4 41.1 1.0 CD1 A:ILE170 4.4 40.4 1.0 CG1 A:ILE72 4.4 35.7 1.0 NE2 A:HIS132 4.5 40.1 1.0 CG2 A:ILE170 4.6 32.9 1.0 C1 A:0F1401 4.7 38.9 0.9 CB A:ALA102 4.7 38.9 1.0 O1 A:0F1401 4.7 34.5 0.9 CD1 A:ILE72 4.8 39.3 1.0 CD2 A:HIS132 5.0 37.5 1.0

Reference: