Chlorine in PDB 4e02: Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp

Enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp

All present enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp:
2.7.11.4;

Protein crystallography data

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp, PDB code: 4e02 was solved by S.C.Tso, J.L.Chuang, W.J.Gui, R.M.Wynn, J.Li, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.04 / 2.15
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 127.462, 127.462, 73.499, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 21.1

Other elements in 4e02:

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp (pdb code 4e02). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp, PDB code: 4e02:

Chlorine binding site 1 out of 1 in 4e02

Go back to Chlorine Binding Sites List in 4e02
Chlorine binding site 1 out of 1 in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/(S)-2-Chloro-3-Phenylpropanoic 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/(S)-2-Chloro-3-Phenylpropanoic Acid Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:46.0
occ:1.00
 CL1 A:WJ1403 0.0 46.0 1.0
C8 A:WJ1403 1.8 34.6 1.0
C9 A:WJ1403 2.7 34.4 1.0
C7 A:WJ1403 2.7 39.3 1.0
O1 A:WJ1403 2.9 37.0 1.0
C6 A:WJ1403 3.3 35.3 1.0
C5 A:WJ1403 3.5 39.0 1.0
CG2 A:ILE170 3.6 35.3 1.0
CD1 A:ILE170 3.7 31.8 1.0
CE2 A:TYR99 3.7 37.4 1.0
CD1 A:ILE72 3.7 32.5 1.0
O2 A:WJ1403 3.8 37.5 1.0
CB A:ILE170 3.9 35.6 1.0
OH A:TYR99 4.1 41.5 1.0
C1 A:WJ1403 4.3 33.8 1.0
CZ A:TYR99 4.4 39.0 1.0
CG1 A:ILE170 4.4 33.4 1.0
CG A:ARG167 4.4 31.5 1.0
CA A:ARG167 4.4 29.4 1.0
ND1 A:HIS132 4.6 36.2 1.0
C4 A:WJ1403 4.6 34.6 1.0
CB A:ARG167 4.6 27.5 1.0
O A:ARG167 4.7 33.2 1.0
CD2 A:TYR99 4.7 36.9 1.0

Reference:

S.C.Tso, J.L.Chuang, W.J.Gui, R.M.Wynn, J.Li, D.T.Chuang. Structures of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase-Inhibitor Complexes To Be Published.
Page generated: Sun Jul 21 12:26:34 2024

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