Sodium in PDB 3qlj: Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Avium

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Avium, PDB code: 3qlj 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)	50.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.520, 129.900, 91.860, 90.00, 109.86, 90.00
R / Rfree (%)	16 / 19.4

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Avium also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Sodium atom in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Avium (pdb code 3qlj). 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 A Short Chain Dehydrogenase From Mycobacterium Avium, PDB code: 3qlj:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Avium


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 A Short Chain Dehydrogenase From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ A:Na304 b:19.0 occ:1.00 O A:HOH1280 2.2 42.5 1.0 O B:HOH800 2.2 36.0 1.0 O A:HOH801 2.3 33.8 1.0 O B:HOH321 2.3 21.2 1.0 O B:HOH803 2.6 43.7 1.0 O B:HOH802 2.6 44.1 1.0 O A:HOH804 3.3 40.8 1.0 OE2 A:GLU29 4.3 22.8 1.0 OD2 B:ASP277 4.5 26.0 1.0 OD1 B:ASP277 4.6 19.4 1.0 OE1 A:GLU29 4.6 18.6 1.0 CB B:ALA279 4.6 16.7 1.0 CD A:GLU29 4.9 20.1 1.0 O A:MET1 5.0 31.5 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Avium


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 A Short Chain Dehydrogenase From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ C:Na303 b:32.0 occ:1.00 O D:HOH807 2.2 40.6 1.0 O C:HOH743 2.3 31.1 1.0 O C:HOH1278 2.4 42.0 1.0 O C:HOH805 2.4 41.0 1.0 O D:HOH808 2.5 51.9 1.0 CB C:ALA279 4.4 26.8 1.0 OD2 C:ASP277 4.5 31.7 1.0 OE2 D:GLU29 4.5 29.3 1.0 OE1 D:GLU29 4.6 26.8 1.0 OD1 C:ASP277 4.6 28.2 1.0 CD D:GLU29 5.0 28.4 1.0 CG C:ASP277 5.0 28.5 1.0

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler. Increasing the Structural Coverage of Tuberculosis Drug Targets. Tuberculosis (Edinb) V. 95 142 2015.
ISSN: ISSN 1472-9792
PubMed: 25613812
DOI: 10.1016/J.TUBE.2014.12.003