Sodium in PDB 3e6q: Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa.

The structure of Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa., PDB code: 3e6q was solved by J.Osipiuk, X.Xu, H.Cui, A.Savchenko, A.M.Edwards, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	172.796, 145.243, 122.252, 90.00, 134.91, 90.00
R / Rfree (%)	13.6 / 16.4

The binding sites of Sodium atom in the Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa. (pdb code 3e6q). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa., PDB code: 3e6q:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na343 b:27.9 occ:1.00 O B:HOH383 2.7 31.5 1.0 OE2 A:GLU7 2.7 22.0 1.0 O A:VAL5 3.0 16.5 1.0 CB A:CYS65 3.5 16.1 1.0 N A:CYS65 3.6 14.6 1.0 CD2 A:HIS63 3.6 18.9 1.0 CD A:GLU7 3.6 20.5 1.0 O B:HOH477 3.7 39.7 1.0 CG1 A:VAL5 3.8 17.8 1.0 CG A:GLU7 3.8 18.8 1.0 C A:VAL5 3.8 16.0 1.0 CB A:VAL5 3.8 15.5 1.0 C A:ALA64 4.0 14.9 1.0 CA A:CYS65 4.1 14.4 1.0 NE2 A:HIS63 4.2 17.3 1.0 O2 A:FMT335 4.2 41.8 1.0 O A:HIS63 4.2 17.1 1.0 CA A:ALA64 4.2 15.4 1.0 CA A:VAL5 4.4 14.5 1.0 CB A:GLU7 4.5 17.5 1.0 O1 A:FMT335 4.6 30.7 1.0 CG A:HIS63 4.6 17.8 1.0 C A:HIS63 4.6 15.8 1.0 N A:GLU7 4.6 15.6 1.0 N A:ILE6 4.6 14.8 1.0 N A:ALA64 4.7 14.7 1.0 OE1 A:GLU7 4.7 21.6 1.0 O A:ALA64 4.8 13.8 1.0 C A:FMT335 4.9 36.4 1.0 CA A:ILE6 4.9 15.5 1.0 C A:ILE6 4.9 16.8 1.0 O B:HOH373 5.0 32.5 1.0

Sodium binding site 2 out of 4 in the Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa. within 5.0Å range: probe atom residue distance (Å) B Occ B:Na344 b:50.3 occ:1.00 OE1 B:GLU7 2.8 20.4 1.0 O B:HOH494 2.9 44.8 1.0 CD B:GLU7 3.7 21.5 1.0 CG1 C:VAL5 3.8 19.1 1.0 CG2 C:VAL45 4.1 22.4 0.6 CG2 C:VAL5 4.2 18.6 1.0 O B:HOH487 4.2 39.6 1.0 CD2 B:LEU47 4.2 16.5 1.0 CG C:ARG43 4.3 18.1 1.0 CG B:GLU7 4.4 19.8 1.0 OE2 B:GLU7 4.5 21.0 1.0 NE C:ARG43 4.6 18.0 1.0 CB C:VAL5 4.6 16.9 1.0 O A:HOH455 4.7 35.8 1.0 CG1 C:VAL45 4.8 16.8 0.4

Sodium binding site 3 out of 4 in the Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa. within 5.0Å range: probe atom residue distance (Å) B Occ F:Na342 b:30.4 occ:1.00 OE2 F:GLU7 2.7 21.2 1.0 O E:HOH464 2.7 29.6 1.0 O F:VAL5 3.2 15.0 1.0 CD F:GLU7 3.5 22.9 1.0 CD2 F:HIS63 3.6 18.6 1.0 CB F:CYS65 3.6 14.4 1.0 CG1 F:VAL5 3.6 16.7 1.0 CG F:GLU7 3.7 19.2 1.0 O F:HOH498 3.7 41.4 1.0 N F:CYS65 3.8 14.7 1.0 CB F:VAL5 3.8 14.2 1.0 C F:VAL5 3.9 14.4 1.0 NE2 F:HIS63 4.2 15.4 1.0 C F:ALA64 4.2 14.0 1.0 O F:HIS63 4.3 16.3 1.0 CA F:CYS65 4.3 14.1 1.0 CA F:ALA64 4.4 13.3 1.0 CA F:VAL5 4.5 14.0 1.0 CB F:GLU7 4.5 16.5 1.0 N F:GLU7 4.6 14.2 1.0 CG F:HIS63 4.6 15.0 1.0 C1 F:EDO312 4.6 31.5 1.0 O1 F:EDO312 4.6 22.7 1.0 OE1 F:GLU7 4.6 23.0 1.0 N F:ILE6 4.7 13.3 1.0 C F:HIS63 4.7 14.7 1.0 N F:ALA64 4.8 13.5 1.0 CA F:ILE6 4.9 14.2 1.0 C F:ILE6 4.9 14.8 1.0 O F:ALA64 5.0 13.9 1.0

Sodium binding site 4 out of 4 in the Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa. within 5.0Å range: probe atom residue distance (Å) B Occ G:Na341 b:50.1 occ:1.00 OE1 G:GLU7 2.8 22.2 1.0 CD G:GLU7 3.6 23.8 1.0 CD2 G:LEU47 3.9 14.8 1.0 CG G:GLU7 4.1 19.9 1.0 CG2 G:VAL45 4.2 24.6 1.0 CG1 H:VAL45 4.2 25.5 1.0 CG1 H:VAL5 4.4 17.4 1.0 OE2 G:GLU7 4.5 20.6 1.0 CG H:ARG43 4.5 15.3 1.0 O I:HOH434 4.5 29.6 1.0 O G:HOH582 4.6 35.8 1.0 CG2 H:VAL5 4.8 15.5 1.0 NE H:ARG43 4.9 17.6 1.0

J.Osipiuk, X.Xu, H.Cui, A.Savchenko, A.M.Edwards, A.Joachimiak. X-Ray Crystal Structure of Putative 5-Carboxymethyl-2-Hydroxymuconate Isomerase From Pseudomonas Aeruginosa. To Be Published.