Manganese in PDB 1ffg: Chey-Binding Domain of Chea in Complex with Chey at 2.1 A Resolution

The structure of Chey-Binding Domain of Chea in Complex with Chey at 2.1 A Resolution, PDB code: 1ffg 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 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	157.600, 53.800, 76.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22

The binding sites of Manganese atom in the Chey-Binding Domain of Chea in Complex with Chey at 2.1 A Resolution (pdb code 1ffg). 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 at 2.1 A Resolution, PDB code: 1ffg:
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 at 2.1 A Resolution


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 at 2.1 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:41.5 occ:1.00 O A:ASN59 2.3 18.7 1.0 OD1 A:ASP13 2.4 29.0 1.0 OD2 A:ASP57 2.5 31.9 1.0 O A:HOH218 2.5 46.3 1.0 CG A:ASP57 3.3 27.0 1.0 C A:ASN59 3.4 20.6 1.0 CG A:ASP13 3.5 25.4 1.0 OD1 A:ASP12 3.6 24.8 1.0 OD2 A:ASP13 3.9 29.9 1.0 OD1 A:ASP57 3.9 27.5 1.0 OE2 C:GLU5 4.1 44.2 1.0 CB A:ASN59 4.1 29.1 1.0 CA A:ASN59 4.2 22.5 1.0 NZ A:LYS109 4.2 28.0 1.0 CB A:ASP57 4.3 20.1 1.0 CG A:MET60 4.3 20.6 1.0 CG A:ASP12 4.4 22.3 1.0 N A:ASN59 4.4 20.7 1.0 N A:ASP13 4.5 19.5 1.0 N A:MET60 4.5 18.6 1.0 CA A:MET60 4.7 19.9 1.0 OD2 A:ASP12 4.7 27.5 1.0 CB A:ASP13 4.7 24.1 1.0 CD C:GLU5 4.8 45.4 1.0 OE1 C:GLU5 4.9 48.0 1.0

Manganese binding site 2 out of 2 in the Chey-Binding Domain of Chea in Complex with Chey at 2.1 A Resolution


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 at 2.1 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn130 b:52.3 occ:1.00 O C:ASN59 2.4 24.0 1.0 OD1 C:ASP13 2.4 32.2 1.0 OD2 C:ASP57 2.7 30.1 1.0 O C:HOH191 2.8 40.1 1.0 CG C:ASP13 3.4 31.0 1.0 C C:ASN59 3.6 24.6 1.0 OD2 C:ASP13 3.6 33.8 1.0 OD1 C:ASP12 3.7 26.2 1.0 CG C:ASP57 3.8 27.7 1.0 CG C:MET60 4.3 21.1 1.0 CB C:ASN59 4.3 31.9 1.0 CA C:ASN59 4.4 25.5 1.0 N C:ASN59 4.5 25.0 1.0 N C:MET60 4.6 20.4 1.0 CB C:ASP57 4.6 21.9 1.0 N C:ASP13 4.6 23.4 1.0 OD1 C:ASP57 4.6 29.9 1.0 CG C:ASP12 4.6 25.6 1.0 O C:HOH162 4.6 23.2 1.0 NZ C:LYS109 4.6 22.8 1.0 CA C:MET60 4.7 21.1 1.0 CB C:ASP13 4.7 27.6 1.0 O C:HOH206 4.7 40.4 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