Sodium in PDB 3fci: Complex of UNG2 and A Fragment-Based Designed Inhibitor

The structure of Complex of UNG2 and A Fragment-Based Designed Inhibitor, PDB code: 3fci was solved by M.A.Bianchet, S.Chung, J.B.Parker, L.M.Amzel, J.T.Stivers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.08 / 1.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.014, 68.476, 69.674, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.7

The binding sites of Sodium atom in the Complex of UNG2 and A Fragment-Based Designed Inhibitor (pdb code 3fci). 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 Complex of UNG2 and A Fragment-Based Designed Inhibitor, PDB code: 3fci:

Sodium binding site 1 out of 1 in the Complex of UNG2 and A Fragment-Based Designed Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Complex of UNG2 and A Fragment-Based Designed Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na305 b:36.8 occ:1.00 OE2 A:GLU111 2.4 27.4 1.0 O A:HOH513 2.7 19.6 1.0 NZ A:LYS114 3.0 26.9 1.0 O A:HOH583 3.1 24.8 1.0 CD A:GLU111 3.6 24.4 1.0 O A:HOH656 3.8 32.4 1.0 CB A:GLU111 3.8 15.3 1.0 CE A:LYS114 3.8 25.6 1.0 CD A:LYS114 3.8 24.6 1.0 CA A:GLU111 3.9 14.8 1.0 CG A:GLU111 4.2 19.3 1.0 N A:GLU111 4.4 13.8 1.0 OE1 A:GLU111 4.5 26.8 1.0 C A:ALA110 4.9 13.4 1.0

S.Chung, J.B.Parker, M.Bianchet, L.M.Amzel, J.T.Stivers. Impact of Linker Strain and Flexibility in the Design of A Fragment-Based Inhibitor Nat.Chem.Biol. V. 5 407 2009.
ISSN: ISSN 1552-4450
PubMed: 19396178
DOI: 10.1038/NCHEMBIO.163