Manganese in PDB 1fqw: Crystal Structure of Activated Chey

The structure of Crystal Structure of Activated Chey, PDB code: 1fqw was solved by S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, E.A.Berry, D.E.Wemmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.684, 53.911, 161.532, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24

The structure of Crystal Structure of Activated Chey also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Manganese atom in the Crystal Structure of Activated Chey (pdb code 1fqw). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Activated Chey, PDB code: 1fqw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Activated Chey


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Activated Chey within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:33.1 occ:1.00 F1 A:BEF130 2.1 40.3 1.0 OD2 A:ASP57 2.1 25.4 1.0 O A:ASN59 2.3 27.0 1.0 OD1 A:ASP13 2.3 44.5 1.0 O A:HOH231 2.4 35.9 1.0 O A:HOH206 2.4 37.7 1.0 CG A:ASP57 3.2 26.2 1.0 CG A:ASP13 3.2 35.0 1.0 BE A:BEF130 3.4 31.1 1.0 C A:ASN59 3.4 37.9 1.0 OD2 A:ASP13 3.4 33.5 1.0 OD1 A:ASP57 3.6 19.3 1.0 O A:HOH233 3.8 43.3 1.0 CD2 A:PHE14 3.9 58.0 1.0 OD1 A:ASP12 4.0 28.0 1.0 CB A:ASN59 4.0 45.5 1.0 CA A:ASN59 4.1 38.1 1.0 CE2 A:PHE14 4.2 62.8 1.0 F3 A:BEF130 4.2 34.0 1.0 O A:HOH280 4.3 60.3 1.0 N A:ASN59 4.3 37.4 1.0 CG A:MET60 4.4 20.2 1.0 F2 A:BEF130 4.4 34.6 1.0 CB A:ASP57 4.5 26.6 1.0 N A:MET60 4.5 34.9 1.0 CG A:ASP12 4.6 29.6 1.0 OD2 A:ASP12 4.6 33.3 1.0 N A:ASP13 4.6 33.0 1.0 CB A:ASP13 4.6 31.9 1.0 ND2 A:ASN59 4.7 70.9 1.0 CG A:ASN59 4.7 65.8 1.0 NZ A:LYS109 4.8 32.0 1.0 CA A:MET60 4.9 38.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Activated Chey


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Activated Chey within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:36.2 occ:1.00 OD2 B:ASP57 2.2 14.6 1.0 F1 B:BEF130 2.2 37.2 1.0 OD1 B:ASP13 2.3 29.8 1.0 O B:ASN59 2.3 41.3 1.0 O B:HOH205 2.5 37.3 1.0 O B:HOH241 2.5 49.1 1.0 CG B:ASP13 3.1 36.7 1.0 OD2 B:ASP13 3.3 38.1 1.0 CG B:ASP57 3.3 26.5 1.0 O B:HOH232 3.4 64.3 1.0 BE B:BEF130 3.5 33.9 1.0 C B:ASN59 3.5 43.4 1.0 OD1 B:ASP57 3.8 24.5 1.0 O B:HOH249 3.9 44.0 1.0 CB B:ASN59 4.1 37.3 1.0 CD2 B:PHE14 4.2 69.8 1.0 CA B:ASN59 4.2 38.6 1.0 OD1 B:ASP12 4.3 23.6 1.0 F3 B:BEF130 4.4 29.7 1.0 F2 B:BEF130 4.4 35.8 1.0 CE2 B:PHE14 4.5 71.0 1.0 CG B:MET60 4.5 29.2 1.0 N B:ASN59 4.5 33.3 1.0 CB B:ASP13 4.5 32.1 1.0 N B:MET60 4.5 43.1 1.0 CB B:ASP57 4.6 20.6 1.0 N B:ASP13 4.7 24.4 1.0 CG B:ASN59 4.7 48.1 1.0 ND2 B:ASN59 4.7 49.7 1.0 CA B:MET60 4.8 37.0 1.0 CG B:ASP12 4.9 29.1 1.0 OD2 B:ASP12 4.9 37.8 1.0 NZ B:LYS109 4.9 34.0 1.0

S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, E.A.Berry, D.E.Wemmer. Crystal Structure of Activated Chey. Comparison with Other Activated Receiver Domains. J.Biol.Chem. V. 276 16425 2001.
ISSN: ISSN 0021-9258
PubMed: 11279165
DOI: 10.1074/JBC.M101002200