Sodium in PDB 3q2g: ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors

The structure of ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors, PDB code: 3q2g was solved by S.Gerhardt, D.Hargreaves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	114.71 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.309, 63.419, 114.912, 90.00, 89.88, 90.00
R / Rfree (%)	20.8 / 26.1

The structure of ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Nickel	(Ni)	14 atoms
Magnesium	(Mg)	1 atom
Zinc	(Zn)	2 atoms
Cadmium	(Cd)	5 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Sodium atom in the ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors (pdb code 3q2g). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors, PDB code: 3q2g:

Sodium binding site 1 out of 1 in the ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of ADAMTS1 in Complex with A Novel N-Hydroxyformamide Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Na701 b:56.4 occ:1.00 OD1 A:ASP108 2.2 41.8 1.0 O A:CYS115 2.3 48.7 1.0 O A:HOH374 2.3 42.5 1.0 OE2 A:GLU137 2.4 37.9 1.0 O A:THR117 2.7 39.9 1.0 O A:LEU109 2.7 43.8 1.0 O A:HOH373 3.0 40.0 1.0 CD A:GLU137 3.4 34.5 1.0 C A:CYS115 3.4 49.2 1.0 CG A:ASP108 3.5 42.3 1.0 N A:LEU109 3.5 40.9 1.0 OE1 A:GLU137 3.5 36.4 1.0 C A:LEU109 3.7 43.4 1.0 C A:THR117 3.8 40.0 1.0 C A:ASP108 4.0 40.5 1.0 N A:THR117 4.0 44.1 1.0 C A:ASP116 4.1 45.5 1.0 CA A:LEU109 4.1 41.6 1.0 CA A:ASP108 4.2 39.8 1.0 CA A:CYS115 4.3 50.4 1.0 OD2 A:ASP108 4.3 46.4 1.0 CB A:CYS115 4.3 50.4 1.0 N A:ASP116 4.3 48.8 1.0 CA A:THR117 4.4 42.3 1.0 O A:ASP116 4.4 44.7 1.0 CA A:ASP116 4.4 47.5 1.0 CB A:ASP108 4.4 40.6 1.0 CB A:LEU109 4.6 40.4 1.0 CG A:GLU137 4.8 31.4 1.0 O A:ASP108 4.8 41.5 1.0 CB A:THR117 4.8 42.1 1.0 N A:LEU118 4.9 38.4 1.0 N A:CYS110 4.9 45.2 1.0

C.De Savi, A.Pape, J.G.Cumming, A.Ting, P.D.Smith, J.N.Burrows, M.Mills, C.Davies, S.Lamont, D.Milne, C.Cook, P.Moore, Y.Sawyer, S.Gerhardt. The Design and Synthesis of Novel N-Hydroxyformamide Inhibitors of Adam-TS4 For the Treatment of Osteoarthritis Bioorg.Med.Chem.Lett. V. 21 1376 2011.
ISSN: ISSN 0960-894X
PubMed: 21300546
DOI: 10.1016/J.BMCL.2011.01.036