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Calcium in PDB 2xrg: Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor

Enzymatic activity of Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor

All present enzymatic activity of Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor, PDB code: 2xrg was solved by J.Hausmann, H.M.H.G.Albers, A.Perrakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.39 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.995, 90.204, 152.672, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.47

Other elements in 2xrg:

The structure of Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 2 atoms
Iodine (I) 5 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor (pdb code 2xrg). 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 Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor, PDB code: 2xrg:

Calcium binding site 1 out of 1 in 2xrg

Go back to Calcium Binding Sites List in 2xrg
Calcium binding site 1 out of 1 in the Crystal Structure of Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor


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 Autotaxin (ENPP2) in Complex with the HA155 Boronic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1865

b:45.7
occ:1.00
 OD1 A:ASN741 2.1 54.1 1.0
OD1 A:ASP747 2.2 49.1 1.0
OD1 A:ASP743 2.3 39.8 1.0
O A:LEU745 2.4 33.9 1.0
OD1 A:ASP739 2.7 41.3 1.0
CG A:ASN741 3.1 59.5 1.0
ND2 A:ASN741 3.3 52.2 1.0
CG A:ASP743 3.3 39.7 1.0
CG A:ASP747 3.4 49.1 1.0
C A:LEU745 3.6 33.9 1.0
OD2 A:ASP743 3.7 45.9 1.0
CG A:ASP739 3.9 41.0 1.0
N A:ASP747 4.0 35.0 1.0
CA A:ASP747 4.1 36.2 1.0
C A:ARG746 4.1 37.4 1.0
OD2 A:ASP747 4.2 55.6 1.0
CB A:ASP747 4.3 38.2 1.0
N A:LEU745 4.3 29.2 1.0
O A:ARG746 4.3 37.8 1.0
CA A:LEU745 4.4 29.0 1.0
CB A:ASN741 4.5 33.9 1.0
N A:ARG746 4.5 31.0 1.0
CA A:ASP739 4.6 31.5 1.0
CB A:ASP743 4.6 31.1 1.0
OE1 A:GLU751 4.6 62.9 1.0
N A:ASP743 4.6 29.4 1.0
CB A:ASP739 4.7 32.5 1.0
CB A:LEU745 4.7 29.1 1.0
N A:ASN741 4.8 32.7 1.0
CA A:ARG746 4.8 31.6 1.0
OD2 A:ASP739 4.8 46.6 1.0
O A:PHE738 5.0 35.2 1.0
OE2 A:GLU751 5.0 56.8 1.0
CD A:GLU751 5.0 67.3 1.0

Reference:

J.Hausmann, S.Kamtekar, E.Christodoulou, J.E.Day, T.Wu, Z.Fulkerson, H.M.H.G.Albers, L.A.Van Meeteren, A.J.Houben, L.Van Zeijl, S.Jansen, M.Andries, T.Hall, L.E.Pegg, T.E.Benson, M.Kasiem, K.Harlos, C.W.Kooi, S.S.Smyth, H.Ovaa, M.Bollen, A.J.Morris, W.H.Moolenaar, A.Perrakis. Structural Basis of Substrate Discrimination and Integrin Binding By Autotaxin. Nat.Struct.Mol.Biol. V. 18 198 2011.
ISSN: ISSN 1545-9993
PubMed: 21240271
DOI: 10.1038/NSMB.1980
Page generated: Fri Jul 12 19:14:32 2024

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