Magnesium in PDB 3r1i: Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum

The structure of Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum, PDB code: 3r1i 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)	39.24 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	84.520, 127.910, 105.650, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.7

The binding sites of Magnesium atom in the Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum (pdb code 3r1i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum, PDB code: 3r1i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg256 b:14.2 occ:0.50 O A:HOH359 1.8 19.7 0.5 OXT A:PRO255 2.2 15.5 1.0 O A:HOH259 2.3 10.0 0.5 O A:HOH258 2.4 12.0 1.0 C A:PRO255 3.2 16.1 1.0 O A:PRO255 3.5 14.5 1.0 O A:HOH360 4.3 34.5 1.0 CG2 A:ILE153 4.4 12.2 1.0 CA A:PRO255 4.5 15.4 1.0 O A:THR253 4.6 14.9 1.0 O A:HOH324 4.6 17.7 1.0 O A:TYR252 4.8 14.4 1.0 N A:PRO255 4.8 15.0 1.0 C A:THR253 5.0 14.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Short-Chain Type Dehydrogenase/Reductase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg256 b:14.5 occ:0.50 O B:HOH263 1.9 19.3 0.5 O B:HOH261 2.1 9.7 0.5 OXT B:PRO255 2.1 17.1 1.0 O B:HOH257 2.4 13.1 1.0 C B:PRO255 3.1 18.1 1.0 O B:PRO255 3.3 17.8 1.0 O B:HOH265 4.4 36.6 1.0 CG2 B:ILE153 4.4 16.5 1.0 CA B:PRO255 4.5 18.1 1.0 O B:THR253 4.5 16.9 1.0 O B:HOH264 4.8 29.8 1.0 N B:PRO255 4.8 17.9 1.0 O B:TYR252 4.8 17.0 1.0 C B:THR253 4.9 17.4 1.0 CB B:PRO255 5.0 18.3 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