Calcium in PDB 5w4c: Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation)

All present enzymatic activity of Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation):
1.8.1.9;

The structure of Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation), PDB code: 5w4c was solved by C.P.Bravo-Chaucanes, N.F.Valadares, M.S.S.Felipe, J.A.R.G.Barbosa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.94 / 2.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.140, 108.828, 70.354, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 22.8

The binding sites of Calcium atom in the Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation) (pdb code 5w4c). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation), PDB code: 5w4c:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:43.1 occ:1.00 OE1 A:GLU112 2.4 45.6 1.0 O A:GLU129 2.4 33.8 1.0 OE1 A:GLU131 2.6 51.2 1.0 O A:HOH632 2.8 44.6 1.0 OE2 A:GLU131 2.9 45.4 1.0 O A:HOH640 2.9 38.4 1.0 CD A:GLU112 3.0 45.1 1.0 CD A:GLU131 3.1 42.9 1.0 OE2 A:GLU112 3.1 54.3 1.0 C A:GLU129 3.6 29.2 1.0 CA A:GLY130 4.3 22.5 1.0 CG A:GLU112 4.3 41.0 1.0 O A:HOH572 4.3 40.1 1.0 O A:HOH501 4.3 34.0 1.0 N A:GLY130 4.4 27.7 1.0 CG A:GLU131 4.6 30.2 1.0 C A:GLY130 4.7 24.2 1.0 CA A:GLU129 4.7 24.1 1.0 OG1 A:THR128 4.7 20.3 1.0 N A:GLU131 4.8 29.3 1.0 N A:GLU129 4.8 20.6 1.0 CB A:GLU129 5.0 35.1 1.0 CE A:MET62 5.0 71.5 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:49.6 occ:1.00 OE1 B:GLU263 2.3 43.8 1.0 O B:HOH588 2.5 42.5 1.0 O B:HOH616 2.8 43.6 1.0 O B:HOH623 2.9 42.7 0.5 CD B:GLU263 3.3 47.5 1.0 OE2 B:GLU263 3.5 57.6 1.0 CG B:GLU263 4.6 39.0 1.0 CB B:GLU263 4.9 34.0 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:34.3 occ:0.50 OE2 B:GLU131 2.4 67.8 1.0 OE2 B:GLU112 2.4 53.3 1.0 O B:HOH597 2.5 47.7 1.0 O B:GLU129 2.6 42.0 1.0 OE1 B:GLU131 2.6 66.3 1.0 OE1 B:GLU112 2.6 49.7 1.0 CD B:GLU131 2.8 64.8 1.0 CD B:GLU112 2.9 51.5 1.0 C B:GLU129 3.8 37.1 1.0 O B:HOH505 4.1 34.7 1.0 CG B:GLU131 4.4 53.4 1.0 CG B:GLU112 4.4 45.9 1.0 CA B:GLY130 4.5 38.0 1.0 N B:GLY130 4.6 30.0 1.0 OG1 B:THR128 4.7 32.9 1.0 C B:GLY130 4.8 45.6 1.0 CA B:GLU129 4.8 36.7 1.0 N B:GLU129 4.9 39.0 1.0 N B:GLU131 4.9 45.9 1.0

C.P.Bravo-Chaucanes, N.F.Valadares, M.S.S.Felipe, J.A.R.G.Barbosa. Crystal Structure of Thioredoxin Reductase From Cryptococcus Neoformans in Complex with Fad (Fo Conformation) To Be Published.