Manganese in PDB 1ffw: Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate

The structure of Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate, PDB code: 1ffw was solved by P.Gouet, N.Chinardet, M.Welch, V.Guillet, C.Birck, L.Mourey, J.-P.Samama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	159.300, 53.400, 77.800, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 27.3

The binding sites of Manganese atom in the Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate (pdb code 1ffw). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate, PDB code: 1ffw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:67.9 occ:1.00 OD1 A:ASP13 2.6 46.7 1.0 O A:ASN59 2.6 46.0 1.0 OD2 A:ASP57 2.7 47.8 1.0 OE1 C:GLU5 2.9 65.7 1.0 OE2 C:GLU5 3.3 66.3 1.0 CD C:GLU5 3.5 65.7 1.0 CG A:ASP57 3.5 44.8 1.0 OD1 A:ASP12 3.7 41.1 1.0 CG A:ASP13 3.7 43.2 1.0 C A:ASN59 3.7 45.8 1.0 CB A:ASN59 3.9 48.0 1.0 CD2 A:PHE14 4.0 43.6 1.0 OD2 A:ASP13 4.0 45.3 1.0 NZ A:LYS109 4.1 38.7 1.0 OD1 A:ASP57 4.2 45.3 1.0 OD2 A:ASP12 4.2 44.0 1.0 CE2 A:PHE14 4.2 46.2 1.0 CG A:ASP12 4.3 37.5 1.0 CA A:ASN59 4.3 46.0 1.0 CB A:ASP57 4.4 40.5 1.0 N A:ASN59 4.5 46.4 1.0 CG A:MET60 4.6 38.9 1.0 N A:ASP13 4.7 33.4 1.0 N A:MET60 4.9 45.2 1.0 CB A:ASP13 5.0 37.7 1.0 CG C:GLU5 5.0 61.8 1.0

Manganese binding site 2 out of 2 in the Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Chey-Binding Domain of Chea in Complex with Chey with A Bound Imido Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn130 b:84.0 occ:1.00 OD1 C:ASP13 2.5 40.7 1.0 O C:ASN59 2.6 46.4 1.0 OD2 C:ASP57 2.7 51.5 1.0 O C:HOH182 2.9 44.7 1.0 OD1 C:ASP12 3.4 42.3 1.0 O C:HOH173 3.5 47.1 1.0 CG C:ASP13 3.6 38.5 1.0 C C:ASN59 3.7 49.6 1.0 CG C:ASP57 3.8 47.4 1.0 CD2 C:PHE14 3.9 54.3 1.0 OD2 C:ASP13 3.9 39.6 1.0 CE2 C:PHE14 4.0 55.3 1.0 CB C:ASN59 4.1 55.0 1.0 CA C:ASN59 4.3 50.8 1.0 CG C:ASP12 4.4 43.3 1.0 N C:ASN59 4.4 50.6 1.0 NZ C:LYS109 4.5 49.3 1.0 OD1 C:ASP57 4.5 47.6 1.0 CB C:ASP57 4.6 44.8 1.0 OD2 C:ASP12 4.6 46.6 1.0 N C:ASP13 4.7 37.4 1.0 CG C:MET60 4.8 42.5 1.0 N C:MET60 4.8 49.4 1.0 CG C:PHE14 4.9 53.6 1.0 CB C:ASP13 4.9 37.5 1.0

P.Gouet, N.Chinardet, M.Welch, V.Guillet, S.Cabantous, C.Birck, L.Mourey, J.-P.Samama. Further Insights Into the Mechanism of Function of the Response Regulator Chey From Crystallographic Studies of the Chey--Chea(124--257) Complex. Acta Crystallogr.,Sect.D V. 57 44 2001.
ISSN: ISSN 0907-4449
PubMed: 11134926
DOI: 10.1107/S090744490001492X