Calcium in PDB 4r82: The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad

The structure of The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad, PDB code: 4r82 was solved by K.Tan, L.Bigelow, S.Clancy, G.Babnigg, C.A.Bingman, R.Yennamalli, J.Lohman, M.Ma, B.Shen, G.N.Phillips Jr., A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), Enzyme Discovery For Natural Productbiosynthesis (Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.93 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.046, 62.830, 70.089, 90.00, 92.06, 90.00
R / Rfree (%)	16.3 / 18.8

The structure of The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad (pdb code 4r82). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad, PDB code: 4r82:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:16.4 occ:1.00 OD2 A:ASP16 2.3 19.2 1.0 O A:HOH350 2.3 27.4 1.0 O A:HOH365 2.5 20.9 1.0 CG A:ASP16 3.4 18.9 1.0 CB A:ASP16 3.9 15.9 1.0 O A:HOH394 4.4 42.4 1.0 OD1 A:ASP16 4.4 19.6 1.0 OD2 A:ASP13 4.6 30.8 1.0 CA A:ASP16 4.7 15.3 1.0

Calcium binding site 2 out of 3 in the The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:16.4 occ:1.00 OD2 B:ASP16 2.2 19.2 1.0 O B:HOH374 2.4 21.1 1.0 O B:HOH397 2.4 19.7 1.0 O B:HOH399 2.4 29.4 1.0 O B:HOH324 2.4 21.6 1.0 CG B:ASP16 3.3 19.9 1.0 CB B:ASP16 3.8 15.8 1.0 O B:HOH417 4.1 38.5 1.0 OD1 B:ASP16 4.4 20.6 1.0 O B:HOH323 4.5 20.9 1.0 CA B:ASP16 4.6 16.5 1.0 OD2 B:ASP13 4.7 27.2 1.0

Calcium binding site 3 out of 3 in the The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:25.9 occ:1.00 O B:HOH400 2.3 29.3 1.0 O B:HOH311 2.4 24.8 1.0 O B:ARG159 2.4 20.2 1.0 O A:HOH411 2.4 20.7 1.0 O B:PRO157 2.4 25.2 1.0 O A:HOH328 2.5 27.9 1.0 O A:ACT205 2.6 37.1 1.0 C B:PRO157 3.5 24.6 1.0 C B:ARG159 3.6 16.7 1.0 C A:ACT205 3.7 40.0 1.0 OXT A:ACT205 4.1 39.6 1.0 N B:ARG159 4.1 17.9 1.0 CA B:PRO157 4.2 17.9 1.0 OD1 A:ASP26 4.3 18.3 1.0 C B:ALA158 4.4 23.1 1.0 O B:TRP156 4.4 16.5 1.0 O B:HOH326 4.4 33.5 1.0 CA B:ARG159 4.4 17.4 1.0 N B:GLU160 4.5 14.4 1.0 N B:ALA158 4.5 21.6 1.0 NH2 B:ARG155 4.5 21.1 1.0 CA B:GLU160 4.6 17.4 1.0 CG B:GLU160 4.7 34.5 1.0 CA B:ALA158 4.7 23.5 1.0 O B:ALA158 4.8 24.5 1.0 CG1 B:VAL127 4.9 14.7 1.0 CH3 A:ACT205 4.9 38.8 1.0

K.Tan, L.Bigelow, S.Clancy, G.Babnigg, C.A.Bingman, R.Yennamalli, J.Lohman, M.Ma, B.Shen, G.N.Phillips Jr., A.Joachimiak. The Crystal Structure of An Oxidoreductase (SGCE6)From Streptomyces Globisporus in Complex with Fad and Nad. To Be Published.