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Calcium 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
Zinc (Zn) 1 atom
Bromine (Br) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium 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:

Calcium binding site 1 out of 1 in 7g38

Go back to Calcium Binding Sites List in 7g38
Calcium 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 Calcium with other atoms in the Ca 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:Ca907

b:12.1
occ:1.00
 O A:LEU745 2.3 12.1 1.0
OD1 A:ASN741 2.3 15.1 1.0
O A:HOH1487 2.3 16.6 1.0
OD1 A:ASP739 2.3 10.9 1.0
OD1 A:ASP747 2.3 14.2 1.0
OD1 A:ASP743 2.4 12.8 1.0
CG A:ASP743 3.3 15.6 1.0
CG A:ASN741 3.4 15.4 1.0
C A:LEU745 3.5 11.2 1.0
CG A:ASP739 3.5 9.8 1.0
CG A:ASP747 3.5 13.0 1.0
OD2 A:ASP743 3.7 17.2 1.0
ND2 A:ASN741 3.8 19.0 1.0
N A:ASP747 4.0 11.6 1.0
CA A:ASP739 4.0 9.8 1.0
N A:LEU745 4.0 11.9 1.0
C A:ARG746 4.1 12.3 1.0
CA A:ASP747 4.1 12.7 1.0
O A:ARG746 4.2 13.3 1.0
CB A:ASP739 4.2 10.1 1.0
CA A:LEU745 4.2 12.3 1.0
N A:ASP743 4.3 12.6 1.0
OD2 A:ASP739 4.4 10.4 1.0
O A:PHE738 4.4 10.9 1.0
CB A:ASP747 4.4 12.5 1.0
C A:ASP739 4.4 11.0 1.0
OD2 A:ASP747 4.5 13.3 1.0
N A:ASN741 4.5 12.5 1.0
CB A:LEU745 4.5 12.5 1.0
N A:ARG746 4.5 12.6 1.0
CB A:ASP743 4.5 14.1 1.0
OE2 A:GLU751 4.6 23.7 1.0
CB A:ASN741 4.7 14.9 1.0
O A:HOH1400 4.7 23.7 1.0
N A:TYR740 4.7 11.7 1.0
N A:TYR742 4.7 12.5 1.0
CA A:ARG746 4.7 12.3 1.0
CA A:ASP743 4.8 12.5 1.0
N A:GLY744 4.9 11.8 1.0
CA A:ASN741 4.9 12.8 1.0
C A:ASN741 4.9 13.3 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 15:35:07 2025

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