Manganese in PDB 1ffs: Chey-Binding Domain of Chea in Complex with Chey From Crystals Soaked in Acetyl Phosphate

The structure of Chey-Binding Domain of Chea in Complex with Chey From Crystals Soaked in Acetyl Phosphate, PDB code: 1ffs 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 / 2.40
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 (%)	21.7 / 25.5

The binding sites of Manganese atom in the Chey-Binding Domain of Chea in Complex with Chey From Crystals Soaked in Acetyl Phosphate (pdb code 1ffs). 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 From Crystals Soaked in Acetyl Phosphate, PDB code: 1ffs:
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 From Crystals Soaked in Acetyl Phosphate


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 From Crystals Soaked in Acetyl Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:34.9 occ:1.00 O A:ASN59 2.2 30.1 1.0 OD2 A:ASP57 2.3 26.7 1.0 OD1 A:ASP13 2.4 29.4 1.0 CG A:ASP57 3.3 26.6 1.0 C A:ASN59 3.4 30.8 1.0 CG A:ASP13 3.4 30.2 1.0 OD1 A:ASP57 3.7 28.8 1.0 OD2 A:ASP13 3.8 33.8 1.0 OE1 C:GLU5 4.0 50.1 1.0 CB A:ASN59 4.0 37.5 1.0 O A:HOH312 4.0 41.4 1.0 CA A:ASN59 4.1 32.8 1.0 OE2 C:GLU5 4.1 51.1 1.0 CG A:MET60 4.2 19.2 1.0 OD1 A:ASP12 4.2 24.6 1.0 N A:ASN59 4.4 32.7 1.0 N A:MET60 4.4 28.2 1.0 CD C:GLU5 4.5 48.9 1.0 CA A:MET60 4.5 27.4 1.0 CB A:ASP57 4.6 22.1 1.0 CD2 A:PHE14 4.6 45.3 1.0 N A:ASP13 4.6 25.1 1.0 NZ A:LYS109 4.6 48.7 1.0 CG A:ASP12 4.8 25.7 1.0 OD2 A:ASP12 4.8 27.5 1.0 CB A:ASP13 4.8 30.2 1.0 CB A:MET60 5.0 25.2 1.0

Manganese binding site 2 out of 2 in the Chey-Binding Domain of Chea in Complex with Chey From Crystals Soaked in Acetyl Phosphate


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 From Crystals Soaked in Acetyl Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn302 b:39.2 occ:1.00 OD1 C:ASP13 2.3 31.1 1.0 OD2 C:ASP57 2.3 34.1 1.0 O C:ASN59 2.3 34.7 1.0 O C:HOH352 2.5 51.1 1.0 O C:HOH390 2.6 42.4 1.0 O C:HOH362 2.8 51.9 1.0 CG C:ASP13 3.4 29.3 1.0 CG C:ASP57 3.4 31.2 1.0 C C:ASN59 3.5 36.1 1.0 OD2 C:ASP13 3.8 33.8 1.0 OD1 C:ASP57 3.9 34.1 1.0 CA C:ASN59 4.1 38.0 1.0 OD1 C:ASP12 4.1 32.5 1.0 N C:ASN59 4.2 37.7 1.0 CB C:ASN59 4.3 42.2 1.0 CD2 C:PHE14 4.4 45.6 1.0 CG C:MET60 4.4 29.2 1.0 N C:MET60 4.6 34.8 1.0 CB C:ASP57 4.6 28.1 1.0 CE2 C:PHE14 4.7 47.0 1.0 N C:ASP13 4.7 30.0 1.0 CB C:ASP13 4.7 28.1 1.0 CG C:ASP12 4.8 30.4 1.0 CA C:MET60 4.8 35.4 1.0 NZ C:LYS109 4.8 46.6 1.0 OD2 C:ASP12 4.9 34.8 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