Sodium in PDB 3rfq: Crystal Structure of Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum

The structure of Crystal Structure of Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum, PDB code: 3rfq 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 / 2.25
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	125.640, 137.640, 73.960, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.8

The binding sites of Sodium atom in the Crystal Structure of Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum (pdb code 3rfq). 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 Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum, PDB code: 3rfq:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum


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 Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Na181 b:24.8 occ:1.00 O A:HOH255 2.2 32.2 1.0 OG A:SER124 2.7 12.3 1.0 O A:HOH205 2.9 9.0 1.0 OD1 A:ASP160 3.0 15.6 1.0 O A:HOH232 3.1 16.2 1.0 O A:HOH192 3.6 8.8 1.0 O A:HOH233 3.7 16.7 1.0 CG A:ASP160 3.9 13.7 1.0 CB A:SER124 4.0 13.0 1.0 OD2 A:ASP160 4.1 14.4 1.0 O A:SER124 4.5 14.1 1.0 OG1 A:THR164 4.6 18.9 1.0 CA A:SER124 4.6 13.6 1.0 C A:SER124 4.9 14.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum


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 Pterin-4-Alpha-Carbinolamine Dehydratase MOAB2 From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ C:Na181 b:30.5 occ:0.50 O C:HOH283 2.4 27.9 1.0 OG C:SER124 2.5 13.1 1.0 O C:HOH276 2.7 20.8 1.0 OD1 C:ASP160 2.9 18.4 1.0 O C:HOH275 3.5 18.2 0.5 O C:HOH284 3.6 4.5 0.5 CB C:SER124 3.8 13.0 1.0 CG C:ASP160 3.8 18.5 1.0 OD2 C:ASP160 4.1 19.9 1.0 O C:SER124 4.5 14.0 1.0 CA C:SER124 4.6 13.6 1.0 OG1 C:THR164 4.6 18.9 1.0 C C:SER124 4.8 14.0 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