Calcium in PDB 4nam: 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)

The structure of 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y), PDB code: 4nam was solved by S.Lovell, K.P.Battaile, F.Chadegani, V.Mulangi, M.Miyagi, J.G.Bann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.98 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.298, 93.954, 117.727, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.8

The structure of 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y) also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Calcium atom in the 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y) (pdb code 4nam). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y), PDB code: 4nam:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:13.0 occ:1.00 OD2 A:ASP179 2.3 18.1 1.0 OE1 A:GLU188 2.3 16.2 1.0 O A:SER222 2.4 14.4 1.0 OD2 A:ASP235 2.4 14.3 1.0 O A:LYS225 2.4 13.3 1.0 OD2 A:ASP181 2.4 14.0 1.0 OE2 A:GLU188 2.9 15.1 1.0 CD A:GLU188 3.0 14.1 1.0 CG A:ASP179 3.4 18.3 1.0 C A:LYS225 3.4 13.3 1.0 CG A:ASP235 3.5 12.5 1.0 CG A:ASP181 3.5 15.4 1.0 C A:SER222 3.5 17.0 1.0 OD1 A:ASP179 3.9 15.4 1.0 OG1 A:THR228 4.0 13.7 1.0 CB A:ASP235 4.1 14.0 1.0 OD1 A:ASP181 4.1 15.2 1.0 O A:FTR226 4.2 15.0 1.0 N A:LYS225 4.2 13.9 1.0 CA A:PRO223 4.2 16.6 1.0 N A:FTR226 4.2 13.8 1.0 CA A:CA802 4.3 14.0 1.0 CA A:FTR226 4.3 12.9 1.0 N A:PRO223 4.3 12.8 1.0 C A:FTR226 4.4 12.5 1.0 CA A:LYS225 4.4 16.7 1.0 CG A:GLU188 4.5 18.0 1.0 C A:PRO223 4.5 15.2 1.0 N A:SER222 4.5 12.3 1.0 OD1 A:ASP235 4.5 12.8 1.0 CA A:SER222 4.5 14.9 1.0 CB A:ASP179 4.6 14.5 1.0 OG A:SER221 4.6 15.0 1.0 CB A:ASP181 4.6 10.7 1.0 CB A:SER221 4.7 16.8 1.0 N A:GLU224 4.8 18.1 1.0 O A:PRO223 4.8 14.4 1.0 CB A:LYS225 5.0 17.1 1.0

Calcium binding site 2 out of 2 in the 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 1.7A Structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:14.0 occ:1.00 OD1 A:ASP177 2.3 13.8 1.0 O A:HOH904 2.3 17.1 1.0 OD1 A:ASP179 2.3 15.4 1.0 OE2 A:GLU188 2.3 15.1 1.0 O A:ILE183 2.3 14.9 1.0 OD1 A:ASP181 2.4 15.2 1.0 CG A:ASP181 3.2 15.4 1.0 CG A:ASP179 3.3 18.3 1.0 C A:ILE183 3.5 12.8 1.0 CG A:ASP177 3.5 19.6 1.0 CD A:GLU188 3.5 14.1 1.0 OD2 A:ASP179 3.6 18.1 1.0 OD2 A:ASP181 3.7 14.0 1.0 N A:ILE183 3.8 17.3 1.0 CA A:ILE183 4.0 11.7 1.0 CB A:ILE183 4.2 13.7 1.0 CA A:ASP177 4.2 12.5 1.0 O A:PRO223 4.2 14.4 1.0 N A:ASP181 4.2 16.5 1.0 CA A:CA801 4.3 13.0 1.0 CG A:GLU188 4.3 18.0 1.0 CB A:ASP177 4.3 15.0 1.0 OD2 A:ASP177 4.4 16.4 1.0 OE1 A:GLU188 4.4 16.2 1.0 C A:ASP177 4.4 15.2 1.0 CB A:ASP181 4.5 10.7 1.0 N A:GLY182 4.5 14.4 1.0 N A:ASP179 4.6 14.0 1.0 CA A:PRO223 4.6 16.6 1.0 N A:PRO184 4.6 16.5 1.0 C A:PRO184 4.6 15.6 1.0 CB A:ASP179 4.7 14.5 1.0 OD1 A:ASP185 4.7 18.6 1.0 CA A:ASP181 4.7 12.8 1.0 N A:ASP185 4.7 13.7 1.0 N A:ARG178 4.7 14.6 1.0 N A:ASN180 4.7 14.5 1.0 C A:GLY182 4.7 17.7 1.0 C A:PRO223 4.8 15.2 1.0 CA A:PRO184 4.8 17.5 1.0 C A:ASP181 4.9 13.9 1.0 O A:PRO184 4.9 17.4 1.0 CA A:ASP179 4.9 10.4 1.0 O A:ASP177 5.0 17.5 1.0 C A:ASP179 5.0 16.4 1.0

F.Chadegani, S.W.Lovell, V.Mullangi, M.Miyagi, K.P.Battaile, J.G.Bann. 19F-uc(Nmr) and Crystallographic Studies of 5-Fluorotryptophan Labeled Anthrax Protective Antigen and Effects of Receptor on Stability. Biochemistry 2014.
ISSN: ISSN 0006-2960
PubMed: 24387629
DOI: 10.1021/BI401405S