Sodium in PDB 6p4e: Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor

The structure of Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor, PDB code: 6p4e was solved by J.F.R.Ribeiro, C.Li, D.De Vita, J.Emsley, C.A.Montanari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.56 / 1.35
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	82.636, 82.636, 134.846, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 21.3

The binding sites of Sodium atom in the Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor (pdb code 6p4e). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor, PDB code: 6p4e:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:21.4 occ:1.00 O A:HOH589 2.4 32.6 1.0 O A:HOH539 2.4 22.8 1.0 O A:HOH535 2.4 37.0 1.0 O A:ASP189 2.4 21.4 1.0 O A:GLY191 2.4 11.8 1.0 O A:HOH567 2.5 19.3 1.0 C A:ASP189 3.4 19.4 1.0 C A:GLY191 3.5 9.2 1.0 N A:GLY191 3.6 9.4 1.0 C A:TRP190 3.8 9.8 1.0 CA A:GLY191 4.1 12.1 1.0 O A:HOH593 4.2 32.0 1.0 O A:TRP190 4.2 9.9 1.0 N A:TRP190 4.2 13.2 1.0 CA A:TRP190 4.2 14.3 1.0 CA A:ASP189 4.3 19.9 1.0 O A:HOH489 4.5 16.9 1.0 O A:LYS150 4.6 13.9 1.0 N A:GLN193 4.6 12.1 1.0 N A:GLU192 4.7 8.8 1.0 O A:HOH622 4.9 40.4 1.0

Sodium binding site 2 out of 2 in the Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Leishmania Mexicana Cpb in Complex with An Aza-Nitrile Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Na301 b:18.9 occ:1.00 O B:GLY191 2.3 12.4 1.0 O B:ASP189 2.3 16.2 1.0 O B:HOH564 2.4 18.5 1.0 O B:HOH593 2.4 24.7 1.0 O B:HOH581 2.4 34.3 1.0 C B:ASP189 3.4 16.8 1.0 C B:GLY191 3.4 11.2 1.0 N B:GLY191 3.7 10.8 1.0 C B:TRP190 3.8 11.5 1.0 CA B:GLY191 4.1 12.0 1.0 O B:HOH584 4.1 47.6 1.0 O B:TRP190 4.1 11.8 1.0 CA B:ASP189 4.2 19.5 1.0 N B:TRP190 4.2 12.2 1.0 CA B:TRP190 4.3 12.9 1.0 O B:HOH595 4.4 33.1 1.0 N B:GLN193 4.4 13.9 1.0 O B:LYS150 4.4 14.8 1.0 N B:GLU192 4.5 10.4 1.0 O B:HOH509 4.7 16.8 1.0 O B:GLY188 4.8 17.8 1.0 CA B:GLU192 4.8 8.4 1.0 O B:HOH625 4.8 29.8 1.0

J.F.R.Ribeiro, D.De Vita, C.Li, J.Emsley, C.A.Montanari. High Resolution X-Ray Crystal Structures of LMCPB2.8 Co-Crystalized with Dipeptidyl Aza-Nitrile Inhibitor and Structure Activity Relationships To Be Published.