Iron in PDB 3swt: Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum

The structure of Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum, PDB code: 3swt 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 / 2.05
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	69.098, 89.078, 104.703, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 22.6

The binding sites of Iron atom in the Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum (pdb code 3swt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum, PDB code: 3swt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe299 b:31.7 occ:0.50 O A:HOH319 1.9 37.4 1.0 NE2 A:HIS255 2.1 25.3 1.0 NE2 A:HIS98 2.1 22.4 1.0 OD1 A:ASP100 2.2 34.2 1.0 CE1 A:HIS255 2.8 25.6 1.0 CE1 A:HIS98 3.0 22.9 1.0 CD2 A:HIS98 3.2 22.5 1.0 CG A:ASP100 3.3 28.4 1.0 CD2 A:HIS255 3.3 23.0 1.0 NH1 A:ARG270 3.5 48.3 1.0 OD2 A:ASP100 3.7 34.4 1.0 ND1 A:HIS255 4.0 22.3 1.0 ND1 A:HIS98 4.2 20.4 1.0 O A:HOH340 4.3 19.9 1.0 CG A:HIS255 4.3 19.5 1.0 CG A:HIS98 4.3 20.4 1.0 CB A:ASP100 4.6 23.4 1.0 CZ A:ARG270 4.7 47.4 1.0 CA A:ASP100 4.8 22.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Taurine Catabolism Dioxygenase, Taud From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe299 b:37.4 occ:0.50 NE2 B:HIS98 2.2 21.1 1.0 OD1 B:ASP100 2.3 29.1 1.0 NE2 B:HIS255 2.4 27.2 1.0 O B:HOH351 3.0 45.9 1.0 CE1 B:HIS98 3.1 19.0 1.0 CE1 B:HIS255 3.1 24.7 1.0 CD2 B:HIS98 3.2 20.6 1.0 NH1 B:ARG270 3.4 45.0 1.0 CG B:ASP100 3.4 25.9 1.0 CD2 B:HIS255 3.4 24.1 1.0 OD2 B:ASP100 3.9 32.1 1.0 ND1 B:HIS98 4.2 22.5 1.0 ND1 B:HIS255 4.3 23.2 1.0 CG B:HIS98 4.3 19.2 1.0 O B:HOH420 4.4 27.4 1.0 CG B:HIS255 4.5 21.3 1.0 CB B:ASP100 4.6 20.6 1.0 CZ B:ARG270 4.7 43.5 1.0 CA B:ASP100 4.9 20.4 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