Sodium in PDB 4j9w: Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate

The structure of Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate, PDB code: 4j9w was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, M.Stead, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.19 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.174, 74.637, 87.048, 90.00, 105.46, 90.00
R / Rfree (%)	19.7 / 23.2

The binding sites of Sodium atom in the Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate (pdb code 4j9w). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate, PDB code: 4j9w:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:26.9 occ:1.00 O A:HOH649 2.3 33.6 1.0 O A:ASP215 2.3 21.5 1.0 O A:ALA218 2.3 17.6 1.0 O A:HOH777 2.4 42.4 1.0 O A:HOH669 2.4 31.3 1.0 O A:HOH557 2.5 21.4 1.0 C A:ASP215 3.5 21.0 1.0 C A:ALA218 3.5 18.5 1.0 N A:ASP215 4.1 24.7 1.0 N A:ALA218 4.1 26.5 1.0 CA A:ASP219 4.2 15.5 1.0 N A:ASP219 4.3 14.7 1.0 C A:PRO216 4.3 29.3 1.0 CA A:ASP215 4.3 24.1 1.0 O A:ASP219 4.4 19.4 1.0 C A:ASP219 4.4 17.7 1.0 N A:PRO216 4.4 26.2 1.0 CA A:PRO216 4.4 30.9 1.0 CA A:ALA218 4.5 19.9 1.0 O A:PRO216 4.5 33.0 1.0 N A:GLN217 4.6 25.8 1.0 CB A:ASP215 4.8 24.9 1.0 O A:HOH699 5.0 43.8 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole- 2-Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ B:Na403 b:26.3 occ:1.00 O B:ASP215 2.3 24.5 1.0 O B:HOH758 2.3 41.5 1.0 O B:ALA218 2.3 21.7 1.0 O B:HOH759 2.3 32.1 1.0 O B:HOH585 2.4 23.1 1.0 O B:HOH757 2.5 38.0 1.0 C B:ASP215 3.5 21.8 1.0 C B:ALA218 3.5 20.7 1.0 N B:ASP215 4.1 26.2 1.0 N B:ALA218 4.1 24.2 1.0 CA B:ASP219 4.2 17.3 1.0 N B:ASP219 4.3 15.8 1.0 CA B:ASP215 4.3 25.2 1.0 C B:PRO216 4.4 32.8 1.0 CA B:PRO216 4.4 32.0 1.0 N B:PRO216 4.4 26.7 1.0 O B:ASP219 4.4 21.0 1.0 C B:ASP219 4.4 19.9 1.0 CA B:ALA218 4.5 18.4 1.0 O B:PRO216 4.6 36.7 1.0 N B:GLN217 4.7 28.3 1.0 CB B:ASP215 4.8 23.1 1.0

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, M.Stead, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of the Complex of A Hydroxyproline Epimerase (Target Efi-506499, Pseudomonas Fluorescens Pf-5) with the Inhibitor Pyrrole-2-Carboxylate To Be Published.