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Bromine in PDB 7g38: Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide, PDB code: 7g38 was solved by M.Stihle, J.Benz, D.Hunziker, T.Lubbers, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.90 / 1.49
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.959, 91.792, 119.458, 90, 90, 90
R / Rfree (%) 18.7 / 21.5

Other elements in 7g38:

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide also contains other interesting chemical elements:

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

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide (pdb code 7g38). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide, PDB code: 7g38:

Bromine binding site 1 out of 1 in 7g38

Go back to Bromine Binding Sites List in 7g38
Bromine binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br901

b:32.8
occ:1.00
 BR25 A:XRT901 0.0 32.8 1.0
C22 A:XRT901 1.9 27.0 1.0
C21 A:XRT901 2.8 25.5 1.0
C23 A:XRT901 2.9 23.4 1.0
CG A:LEU216 3.5 12.6 0.3
CD2 A:LEU216 3.6 12.8 0.3
CE A:MET512 3.8 16.8 1.0
CA A:ALA217 3.8 12.2 1.0
N A:ALA217 3.9 11.5 1.0
C A:LEU216 4.0 11.8 1.0
O A:LEU216 4.0 12.4 1.0
CD1 A:ILE167 4.1 18.4 1.0
C20 A:XRT901 4.1 23.8 1.0
CE2 A:PHE273 4.1 21.4 1.0
C24 A:XRT901 4.2 24.4 1.0
CB A:ALA217 4.2 14.7 1.0
SD A:MET512 4.2 16.6 1.0
CB A:LEU216 4.3 12.0 0.3
CB A:LEU216 4.3 12.0 0.7
CG2 A:ILE167 4.6 15.3 1.0
CD1 A:LEU216 4.6 13.0 0.3
CD2 A:PHE273 4.6 21.6 1.0
C19 A:XRT901 4.7 24.4 1.0
CD2 A:LEU259 4.8 14.0 1.0
CA A:LEU216 4.8 11.8 0.3
CA A:LEU216 4.8 12.0 0.7
CG1 A:ILE167 4.9 14.9 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: Sat Feb 8 15:20:24 2025

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