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Potassium in PDB 5s9l: Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1%

Enzymatic activity of Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1%

All present enzymatic activity of Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1%:
3.1.4.39;

Protein crystallography data

The structure of Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1%, PDB code: 5s9l was solved by M.Stihle, D.Hunziker, J.Benz, P.Mattei, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.70 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.543, 91.259, 118.405, 90, 90, 90
R / Rfree (%) 15.8 / 19.1

Other elements in 5s9l:

The structure of Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1% also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Zinc (Zn) 1 atom
Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1% (pdb code 5s9l). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1%, PDB code: 5s9l:

Potassium binding site 1 out of 1 in 5s9l

Go back to Potassium Binding Sites List in 5s9l
Potassium binding site 1 out of 1 in the Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1%


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Autotaxin, 4-[3-Oxo-3-(2-Oxo-2,3-Dihydro-Benzooxazol-6-Yl)-Propyl]- Piperazine-1-Carboxylic Acid 3,5-Dichloro-Benzyl Ester, 1.90A, P212121, Rfree=19.1% within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K902

b:26.2
occ:1.00
 O A:ACT904 2.2 36.1 1.0
O A:ASP672 2.2 26.1 1.0
O A:TYR669 2.3 26.2 1.0
O A:MET675 2.3 24.7 1.0
O A:HOH1431 2.4 36.0 1.0
O A:HOH1238 2.4 27.8 1.0
C A:ACT904 3.4 40.5 1.0
C A:ASP672 3.4 27.8 1.0
C A:MET675 3.4 26.9 1.0
C A:TYR669 3.4 30.5 1.0
N A:MET675 4.1 27.4 1.0
CH3 A:ACT904 4.2 40.0 1.0
CA A:TYR669 4.2 25.0 1.0
O A:LYS670 4.2 32.5 1.0
CA A:LYS673 4.3 31.8 1.0
N A:LYS673 4.3 26.9 1.0
N A:SER676 4.3 22.0 1.0
OXT A:ACT904 4.3 41.8 1.0
CA A:MET675 4.3 26.6 1.0
CA A:ASP672 4.3 25.4 1.0
C A:LYS673 4.4 29.3 1.0
N A:LYS670 4.4 30.2 1.0
CA A:SER676 4.4 22.9 1.0
N A:ASP672 4.5 26.9 1.0
O A:LYS673 4.6 33.4 1.0
C A:LYS670 4.6 31.3 1.0
CA A:LYS670 4.6 35.4 1.0
CB A:ASP672 4.6 26.1 1.0
CB A:TYR669 4.7 24.8 1.0
N A:GLN674 4.8 28.2 1.0
C A:GLN674 4.9 29.5 1.0
CB A:SER676 5.0 22.3 1.0
CB A:MET675 5.0 24.6 1.0

Reference:

D.Hunziker, S.C.Joachim, C.Ullmer, M.G.Rudolph. Crystal Structure of A Rat Autotaxin Complex To Be Published.
Page generated: Mon Aug 12 14:23:27 2024

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