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Magnesium 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

All present enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp:
2.7.11.4;

Protein crystallography data

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp, PDB code: 4e01 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) 40.25 / 1.97
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 127.277, 127.277, 73.994, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22

Other elements in 4e01:

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp (pdb code 4e01). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp, PDB code: 4e01:

Magnesium binding site 1 out of 1 in 4e01

Go back to Magnesium Binding Sites List in 4e01
Magnesium binding site 1 out of 1 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 Magnesium with other atoms in the Mg 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:Mg402

b:41.2
occ:1.00
 O2G A:ANP404 2.2 37.0 1.0
O2A A:ANP404 2.2 30.1 1.0
O2B A:ANP404 2.2 35.5 1.0
OD1 A:ASN249 2.2 36.5 1.0
O A:HOH614 2.2 31.8 1.0
O A:HOH550 2.3 37.3 1.0
PB A:ANP404 3.1 35.2 1.0
CG A:ASN249 3.2 29.6 1.0
PA A:ANP404 3.2 32.8 1.0
PG A:ANP404 3.2 39.8 1.0
O3A A:ANP404 3.3 34.8 1.0
ND2 A:ASN249 3.4 28.1 1.0
N3B A:ANP404 3.6 32.5 1.0
O1G A:ANP404 3.7 37.2 1.0
O A:HOH521 4.0 36.1 1.0
O5' A:ANP404 4.0 34.3 1.0
CA A:GLY339 4.1 32.0 1.0
OE1 A:GLU245 4.1 33.1 1.0
O A:GLU245 4.2 32.0 1.0
O1A A:ANP404 4.3 32.2 1.0
N A:GLY339 4.3 33.0 1.0
O A:HOH539 4.4 55.6 1.0
O1B A:ANP404 4.5 39.1 1.0
O3G A:ANP404 4.5 38.4 1.0
CB A:ASN249 4.6 27.7 1.0
CA A:ASN249 4.9 31.9 1.0
N A:ASN249 4.9 35.0 1.0
C A:GLY339 4.9 30.9 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: Mon Dec 14 13:28:02 2020

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