Sodium in PDB 7tmb: Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae

The structure of Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae, PDB code: 7tmb 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)	25.54 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	131.307, 223.87, 223.371, 90, 90, 90
R / Rfree (%)	19.2 / 23.1

The binding sites of Sodium atom in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae (pdb code 7tmb). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae, PDB code: 7tmb:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6;

Sodium binding site 1 out of 6 in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae


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 N-Ethylmaleimide Reductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:45.3 occ:1.00 O A:HOH675 2.3 38.3 1.0 O5 A:PG4404 2.4 49.6 1.0 O A:HOH512 2.5 36.4 1.0 C7 A:PG4404 2.5 51.9 1.0 O2 A:PG4404 2.7 42.0 1.0 O3 A:PG4404 2.8 48.1 1.0 O1 A:PG4404 2.8 48.2 1.0 O4 A:PG4404 2.8 50.1 1.0 C8 A:PG4404 2.9 45.1 1.0 C5 A:PG4404 3.0 46.5 1.0 C6 A:PG4404 3.1 42.0 1.0 C4 A:PG4404 3.5 43.2 1.0 C1 A:PG4404 3.6 43.5 1.0 C2 A:PG4404 3.6 40.5 1.0 C3 A:PG4404 3.7 42.9 1.0 OE1 A:GLU161 4.5 31.2 1.0 OE2 A:GLU161 4.5 32.0 1.0 O F:HOH685 4.6 43.2 1.0 CD A:GLU161 4.9 29.5 1.0

Sodium binding site 2 out of 6 in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae


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 N-Ethylmaleimide Reductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Na401 b:61.7 occ:1.00 O1 B:PG4405 2.4 53.1 1.0 O B:HOH677 2.4 35.3 1.0 C7 B:PG4405 2.6 56.2 1.0 C8 B:PG4405 2.8 52.9 1.0 O B:HOH663 3.0 37.8 1.0 O4 B:PG4405 3.1 50.1 1.0 C1 B:PG4405 3.5 48.1 1.0 O3 B:PG4405 3.6 47.1 1.0 O2 B:PG4405 3.6 44.8 1.0 O5 B:PG4405 3.7 54.6 1.0 C6 B:PG4405 3.7 47.6 1.0 C2 B:PG4405 3.9 43.7 1.0 C5 B:PG4405 4.0 47.2 1.0 C4 B:PG4405 4.1 53.7 1.0 OE2 B:GLU161 4.3 31.4 1.0 C3 B:PG4405 4.5 45.1 1.0 OE1 B:GLU161 4.7 23.7 1.0 CD B:GLU161 4.9 33.2 1.0

Sodium binding site 3 out of 6 in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae


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 N-Ethylmaleimide Reductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ C:Na401 b:53.6 occ:1.00 O C:HOH671 2.4 48.0 1.0 O3 C:PG4406 2.4 56.2 1.0 O4 C:PG4406 2.5 63.0 1.0 O1 C:PG4406 2.6 48.1 1.0 O5 C:PG4406 2.7 48.3 1.0 O C:HOH527 2.8 37.0 1.0 C5 C:PG4406 3.1 47.7 1.0 C6 C:PG4406 3.1 52.2 1.0 C1 C:PG4406 3.1 44.0 1.0 C3 C:PG4406 3.1 51.0 1.0 C2 C:PG4406 3.2 43.4 1.0 C8 C:PG4406 3.2 58.0 1.0 C4 C:PG4406 3.3 50.3 1.0 C7 C:PG4406 3.4 55.4 1.0 O2 C:PG4406 3.7 53.1 1.0 OE2 C:GLU161 4.6 41.0 1.0 OE1 C:GLU161 4.6 35.1 1.0 O A:HOH667 4.9 40.4 1.0

Sodium binding site 4 out of 6 in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae


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 N-Ethylmaleimide Reductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ D:Na401 b:44.8 occ:1.00 O D:HOH711 2.3 37.9 1.0 O2 D:PG4405 2.5 36.5 1.0 O D:HOH555 2.5 35.3 1.0 C8 D:PG4405 2.5 42.5 1.0 O3 D:PG4405 2.6 49.4 1.0 O1 D:PG4405 2.7 42.3 1.0 C6 D:PG4405 2.8 43.5 1.0 C5 D:PG4405 3.0 46.9 1.0 O4 D:PG4405 3.0 61.6 1.0 C4 D:PG4405 3.2 46.8 1.0 C7 D:PG4405 3.2 44.4 1.0 C3 D:PG4405 3.4 32.8 1.0 C1 D:PG4405 3.4 34.1 1.0 C2 D:PG4405 3.4 36.9 1.0 O5 D:PG4405 3.7 54.9 1.0 OE2 D:GLU161 4.3 26.6 1.0 OE1 D:GLU161 4.4 25.8 1.0 CD D:GLU161 4.7 28.4 1.0 O B:HOH680 4.9 49.4 1.0

Sodium binding site 5 out of 6 in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ E:Na401 b:51.2 occ:1.00 C8 E:PG4405 2.3 52.0 1.0 O E:HOH687 2.4 47.5 1.0 O2 E:PG4405 2.4 38.0 1.0 O1 E:PG4405 2.5 46.9 1.0 O E:HOH509 2.5 29.0 1.0 C5 E:PG4405 2.7 47.5 1.0 O3 E:PG4405 2.7 47.4 1.0 C6 E:PG4405 2.8 48.0 1.0 O4 E:PG4405 3.1 55.3 1.0 C4 E:PG4405 3.2 42.7 1.0 C7 E:PG4405 3.2 54.4 1.0 C2 E:PG4405 3.3 33.4 1.0 C1 E:PG4405 3.3 38.5 1.0 C3 E:PG4405 3.4 41.1 1.0 O5 E:PG4405 3.5 53.3 1.0 O D:HOH709 4.2 38.3 1.0 OE1 E:GLU161 4.3 23.5 1.0 OE2 E:GLU161 4.5 29.1 1.0 O E:HOH627 4.5 40.2 1.0 CD E:GLU161 4.8 29.9 1.0

Sodium binding site 6 out of 6 in the Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ F:Na401 b:56.9 occ:1.00 O F:HOH637 2.1 42.9 1.0 O4 F:PG4405 2.4 54.0 1.0 O5 F:PG4405 2.4 57.5 1.0 O1 F:PG4405 2.5 53.4 1.0 O2 F:PG4405 2.6 49.8 1.0 O F:HOH625 2.6 40.5 1.0 O3 F:PG4405 3.0 50.0 1.0 C8 F:PG4405 3.1 52.4 1.0 C7 F:PG4405 3.1 41.0 1.0 C4 F:PG4405 3.5 46.3 1.0 C2 F:PG4405 3.5 53.6 1.0 C6 F:PG4405 3.5 50.5 1.0 C1 F:PG4405 3.5 56.9 1.0 C3 F:PG4405 3.6 44.2 1.0 C5 F:PG4405 3.8 56.8 1.0 OE2 F:GLU161 4.5 32.1 1.0 OE1 F:GLU161 4.6 29.9 1.0 CD F:GLU161 5.0 38.6 1.0

S.Lovell, L.Liu, K.P.Battaile, L.Tillery, R.Shek, J.K.Craig, L.K.Barrett, W.C.Van Voorhis. Crystal Structure of N-Ethylmaleimide Reductase From Klebsiella Pneumoniae To Be Published.