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Calcium in PDB 7g5o: Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate, PDB code: 7g5o was solved by M.Stihle, J.Benz, D.Hunziker, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.96 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.921, 92.091, 120.701, 90, 90, 90
R / Rfree (%) 17.5 / 21.3

Other elements in 7g5o:

The structure of Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Chlorine (Cl) 6 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate (pdb code 7g5o). 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 (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate, PDB code: 7g5o:

Calcium binding site 1 out of 1 in 7g5o

Go back to Calcium Binding Sites List in 7g5o
Calcium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate


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 (3,5- Dichlorophenyl)Methyl Rac-(3AR,6AS)-2,3,3A,4,6,6A-Hexahydro-1H- Pyrrolo[3,4-C]Pyrrole-5-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca903

b:17.4
occ:1.00
 OD1 A:ASP739 2.3 17.2 1.0
OD1 A:ASP747 2.3 19.3 1.0
OD1 A:ASN741 2.3 20.1 1.0
OD1 A:ASP743 2.3 18.7 1.0
O A:LEU745 2.3 15.8 1.0
O A:HOH1429 2.4 20.7 1.0
CG A:ASP743 3.3 21.3 1.0
CG A:ASN741 3.4 25.6 1.0
CG A:ASP739 3.4 16.4 1.0
C A:LEU745 3.5 18.1 1.0
CG A:ASP747 3.6 19.4 1.0
OD2 A:ASP743 3.8 22.7 1.0
ND2 A:ASN741 3.8 26.6 1.0
CA A:ASP739 4.0 15.3 1.0
C A:ARG746 4.0 17.4 1.0
N A:ASP747 4.0 16.9 1.0
N A:LEU745 4.1 17.2 1.0
O A:ARG746 4.1 17.1 1.0
CA A:ASP747 4.2 18.6 1.0
CB A:ASP739 4.2 14.7 1.0
CA A:LEU745 4.3 16.2 1.0
N A:ASP743 4.3 17.2 1.0
OD2 A:ASP739 4.3 16.7 1.0
N A:ASN741 4.4 17.2 1.0
O A:PHE738 4.5 13.8 1.0
C A:ASP739 4.5 16.9 1.0
CB A:ASP743 4.5 18.9 1.0
OD2 A:ASP747 4.5 21.7 1.0
CB A:ASP747 4.5 17.3 1.0
CB A:LEU745 4.5 18.7 1.0
N A:ARG746 4.5 18.2 1.0
CA A:ARG746 4.7 15.7 1.0
OE2 A:GLU751 4.7 32.4 1.0
N A:TYR740 4.7 18.2 1.0
CB A:ASN741 4.7 21.5 1.0
N A:TYR742 4.7 19.4 1.0
O A:HOH1369 4.7 35.6 1.0
CA A:ASP743 4.8 15.8 1.0
C A:ASN741 4.8 21.1 1.0
CA A:ASN741 4.9 18.6 1.0
N A:GLY744 4.9 16.9 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 15:51:39 2025

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