Sodium in PDB 4qfe: Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis

All present enzymatic activity of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis:
4.2.1.17;

The structure of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis, PDB code: 4qfe was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.32 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	78.290, 86.580, 106.160, 84.96, 73.62, 83.18
R / Rfree (%)	19.7 / 22.3

The binding sites of Sodium atom in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis (pdb code 4qfe). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis, PDB code: 4qfe:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na305 b:18.7 occ:1.00 O A:HOH548 1.9 30.3 1.0 O F:GLY215 2.2 30.8 1.0 O F:HOH482 2.3 26.8 1.0 O A:GLY215 2.3 24.7 1.0 O D:GLY215 2.3 25.0 1.0 C F:GLY215 3.4 28.4 1.0 C A:GLY215 3.4 23.0 1.0 C D:GLY215 3.5 22.2 1.0 CA F:GLY215 4.0 26.6 1.0 CA A:GLY215 4.0 21.4 1.0 CA D:GLY215 4.2 21.9 1.0 N F:GLU216 4.5 28.0 1.0 N A:GLU216 4.5 22.5 1.0 N D:GLU216 4.5 22.2 1.0 CA D:GLU216 4.7 24.4 1.0 CA F:GLU216 4.8 29.5 1.0 O D:HOH455 4.8 20.1 1.0 CA A:GLU216 4.8 23.8 1.0 O F:HOH442 4.9 31.8 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Na305 b:26.6 occ:1.00 O B:GLY215 2.2 30.6 1.0 O E:GLY215 2.2 28.8 1.0 O H:GLY215 2.2 31.0 1.0 O B:HOH519 2.3 39.5 1.0 O B:HOH460 2.3 35.6 1.0 C H:GLY215 3.4 27.4 1.0 C E:GLY215 3.4 26.3 1.0 C B:GLY215 3.4 28.0 1.0 CA H:GLY215 4.0 26.3 1.0 CA E:GLY215 4.0 24.2 1.0 CA B:GLY215 4.1 26.5 1.0 N B:GLU216 4.5 28.0 1.0 N H:GLU216 4.5 28.3 1.0 N E:GLU216 4.5 27.1 1.0 CA B:GLU216 4.7 28.4 1.0 CA E:GLU216 4.7 27.6 1.0 CA H:GLU216 4.8 29.4 1.0 O B:HOH418 4.9 24.5 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ G:Na304 b:23.7 occ:1.00 O L:GLY215 2.2 22.9 1.0 O I:GLY215 2.2 28.0 1.0 O L:HOH403 2.2 32.1 1.0 O G:GLY215 2.3 29.8 1.0 C L:GLY215 3.3 24.3 1.0 C I:GLY215 3.4 24.2 1.0 C G:GLY215 3.4 26.9 1.0 O G:HOH460 3.6 31.2 1.0 CA L:GLY215 3.9 24.4 1.0 CA I:GLY215 4.0 23.3 1.0 CA G:GLY215 4.0 25.7 1.0 N L:GLU216 4.4 23.7 1.0 N I:GLU216 4.4 24.8 1.0 N G:GLU216 4.5 27.0 1.0 CA L:GLU216 4.7 25.2 1.0 CA I:GLU216 4.7 25.8 1.0 CA G:GLU216 4.8 27.2 1.0 O G:HOH426 4.9 22.8 1.0 O L:HOH426 4.9 22.7 1.0 O I:HOH444 4.9 22.1 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ J:Na307 b:16.3 occ:1.00 O K:GLY215 2.2 21.1 1.0 O J:GLY215 2.2 22.7 1.0 O C:GLY215 2.2 23.1 1.0 O J:HOH533 2.5 37.7 1.0 O C:HOH403 2.7 29.3 1.0 C K:GLY215 3.3 20.5 1.0 C C:GLY215 3.4 21.2 1.0 C J:GLY215 3.4 21.2 1.0 CA K:GLY215 3.9 19.7 1.0 CA C:GLY215 4.0 20.6 1.0 CA J:GLY215 4.1 19.7 1.0 N K:GLU216 4.4 19.6 1.0 N J:GLU216 4.4 20.8 1.0 N C:GLU216 4.5 21.2 1.0 CA J:GLU216 4.7 20.8 1.0 CA K:GLU216 4.8 19.9 1.0 CA C:GLU216 4.8 22.4 1.0 O J:HOH441 4.8 16.9 1.0

D.M.Dranow, T.E.Edwards, D.Lorimer. Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis To Be Published.