Calcium in PDB 3esx: E16KE61KD126KD150K Flavodoxin From Anabaena

The structure of E16KE61KD126KD150K Flavodoxin From Anabaena, PDB code: 3esx was solved by B.Herguedas, J.A.Hermoso, M.Martinez-Julvez, G.Goni, M.Medina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.47 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.597, 104.142, 37.800, 90.00, 93.07, 90.00
R / Rfree (%)	17.6 / 23.7

The structure of E16KE61KD126KD150K Flavodoxin From Anabaena also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the E16KE61KD126KD150K Flavodoxin From Anabaena (pdb code 3esx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the E16KE61KD126KD150K Flavodoxin From Anabaena, PDB code: 3esx:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the E16KE61KD126KD150K Flavodoxin From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of E16KE61KD126KD150K Flavodoxin From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca171 b:26.6 occ:1.00 OD1 A:ASN28 1.6 19.8 1.0 O A:HOH246 2.3 5.5 1.0 O A:HOH216 2.3 2.0 1.0 O A:HOH180 2.6 23.7 1.0 CG A:ASN28 2.8 19.8 1.0 O A:HOH192 2.9 7.9 1.0 O A:HOH191 3.2 29.9 1.0 ND2 A:ASN28 3.4 21.1 1.0 OD1 A:ASP24 3.5 11.6 1.0 O A:HOH206 3.9 7.2 1.0 CB A:ASN28 4.0 19.3 1.0 O A:HOH196 4.1 11.2 1.0 O A:HOH270 4.3 7.0 1.0 CA A:ASN28 4.3 18.9 1.0 O A:ASP24 4.4 10.8 1.0 CA A:ASP24 4.4 10.3 1.0 N A:ASN28 4.5 18.1 1.0 CG A:ASP24 4.6 10.5 1.0 C A:ASP24 4.9 10.6 1.0 CB A:ASP24 4.9 10.5 1.0

Calcium binding site 2 out of 3 in the E16KE61KD126KD150K Flavodoxin From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of E16KE61KD126KD150K Flavodoxin From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca171 b:7.5 occ:1.00 OD1 B:ASP46 2.3 9.4 1.0 O B:THR42 2.3 8.7 1.0 OD1 B:ASN45 2.4 9.0 1.0 O B:HOH348 2.5 6.3 1.0 CG B:ASP46 3.5 8.9 1.0 CG B:ASN45 3.5 8.6 1.0 C B:THR42 3.5 9.4 1.0 ND2 B:ASN45 4.0 7.7 1.0 OD2 B:ASP46 4.0 9.7 1.0 N B:ASP43 4.4 8.9 1.0 N B:ASP46 4.4 7.8 1.0 CA B:ASP43 4.5 8.8 1.0 CA B:THR42 4.5 9.9 1.0 CB B:THR42 4.5 9.8 1.0 CA B:ASP46 4.6 7.9 1.0 CB B:ASP46 4.6 7.9 1.0 C B:ASN45 4.7 8.0 1.0 C B:ASP43 4.7 8.6 1.0 N B:ASN45 4.8 8.4 1.0 CB B:ASN45 4.8 8.2 1.0 O B:ASP43 4.8 8.9 1.0 O B:HOH311 4.8 23.0 1.0 CA B:ASN45 5.0 8.2 1.0

Calcium binding site 3 out of 3 in the E16KE61KD126KD150K Flavodoxin From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of E16KE61KD126KD150K Flavodoxin From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca172 b:24.5 occ:1.00 O B:HOH327 2.5 12.8 1.0 O B:TYR125 2.6 9.7 1.0 O B:HOH174 2.6 19.5 1.0 C B:TYR125 3.8 9.7 1.0 N B:TYR125 4.4 10.0 1.0 O B:THR122 4.4 10.6 1.0 N B:LYS126 4.7 9.7 1.0 CA B:TYR125 4.7 9.6 1.0 CA B:LYS126 4.7 10.3 1.0 O B:HOH365 4.8 17.6 1.0 N B:GLY124 4.9 11.0 1.0

G.Goni, B.Herguedas, M.Hervas, J.R.Peregrina, M.A.De La Rosa, C.Gomez-Moreno, J.A.Navarro, J.A.Hermoso, M.Martinez-Julvez, M.Medina. Flavodoxin: A Compromise Between Efficiency and Versatility in the Electron Transfer From Photosystem I to Ferredoxin-Nadp(+) Reductase Biochim.Biophys.Acta V.1787 144 2009.
ISSN: ISSN 0006-3002
PubMed: 19150326
DOI: 10.1016/J.BBABIO.2008.12.006