Manganese in PDB 1a0o: Chey-Binding Domain of Chea in Complex with Chey

The structure of Chey-Binding Domain of Chea in Complex with Chey, PDB code: 1a0o was solved by N.Chinardet, M.Welch, L.Mourey, C.Birck, J.P.Samama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.00 / 2.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.900, 156.970, 65.970, 90.00, 91.70, 90.00
R / Rfree (%)	18.7 / 23.5

The binding sites of Manganese atom in the Chey-Binding Domain of Chea in Complex with Chey (pdb code 1a0o). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Chey-Binding Domain of Chea in Complex with Chey, PDB code: 1a0o:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Chey-Binding Domain of Chea in Complex with Chey


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1 b:28.8 occ:1.00 O C:ASN59 2.4 18.7 1.0 OD2 C:ASP57 2.5 27.8 1.0 OD1 C:ASP13 2.6 32.3 1.0 CG C:ASP13 3.3 32.3 1.0 OD2 C:ASP13 3.3 32.3 1.0 CG C:ASP57 3.4 27.8 1.0 OD1 C:ASP57 3.6 27.8 1.0 C C:ASN59 3.7 18.7 1.0 OD1 C:ASP12 3.9 31.6 1.0 OD1 C:ASN59 4.4 68.0 1.0 CA C:ASN59 4.5 18.7 1.0 CG C:ASN59 4.6 68.0 1.0 N C:ASN59 4.6 18.7 1.0 CG C:MET60 4.6 17.2 1.0 N C:MET60 4.7 33.4 1.0 NZ C:LYS109 4.7 35.4 1.0 CB C:ASP57 4.7 27.8 1.0 CG C:ASP12 4.7 31.6 1.0 CB C:ASN59 4.8 68.0 1.0 CA C:MET60 4.8 33.4 1.0 CB C:ASP13 4.8 32.3 1.0 N C:ASP13 4.8 33.1 1.0

Manganese binding site 2 out of 4 in the Chey-Binding Domain of Chea in Complex with Chey


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 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mn130 b:27.6 occ:1.00 O G:ASN59 2.3 39.3 1.0 OD2 G:ASP57 2.5 22.6 1.0 OD1 G:ASP13 2.5 25.6 1.0 OD2 G:ASP13 3.0 25.6 1.0 CG G:ASP13 3.1 25.6 1.0 C G:ASN59 3.5 39.3 1.0 CG G:ASP57 3.6 22.6 1.0 CB G:ASN59 4.2 55.0 1.0 OD1 G:ASP57 4.2 22.6 1.0 CA G:ASN59 4.3 39.3 1.0 OD1 G:ASP12 4.3 19.5 1.0 N G:ASN59 4.5 39.3 1.0 CG G:MET60 4.5 24.0 1.0 CB G:ASP13 4.5 25.6 1.0 N G:MET60 4.5 22.8 1.0 CB G:ASP57 4.8 22.6 1.0 N G:ASP13 4.8 26.9 1.0 CA G:MET60 4.8 22.8 1.0

Manganese binding site 3 out of 4 in the Chey-Binding Domain of Chea in Complex with Chey


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Chey-Binding Domain of Chea in Complex with Chey within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn130 b:25.8 occ:1.00 O E:ASN59 2.4 20.9 1.0 OD2 E:ASP57 2.5 25.1 1.0 OD1 E:ASP13 2.5 18.8 1.0 OD2 E:ASP13 3.2 18.8 1.0 CG E:ASP13 3.2 18.8 1.0 CG E:ASP57 3.5 25.1 1.0 C E:ASN59 3.6 20.9 1.0 OD1 E:ASP12 3.7 17.4 1.0 OD1 E:ASP57 3.9 25.1 1.0 NZ E:LYS109 4.4 35.4 1.0 CA E:ASN59 4.4 20.9 1.0 CB E:ASN59 4.5 59.2 1.0 CG E:MET60 4.6 18.1 1.0 N E:ASN59 4.6 20.9 1.0 N E:MET60 4.6 17.8 1.0 CB E:ASP13 4.7 18.8 1.0 CB E:ASP57 4.7 25.1 1.0 CG E:ASP12 4.7 17.4 1.0 N E:ASP13 4.7 20.1 1.0 CA E:MET60 4.8 17.8 1.0

Manganese binding site 4 out of 4 in the Chey-Binding Domain of Chea in Complex with Chey


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Chey-Binding Domain of Chea in Complex with Chey within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn130 b:28.3 occ:1.00 O A:ASN59 2.4 26.5 1.0 OD2 A:ASP57 2.4 21.6 1.0 OD1 A:ASP13 2.6 27.7 1.0 OD2 A:ASP13 3.2 27.7 1.0 CG A:ASP13 3.2 27.7 1.0 CG A:ASP57 3.4 21.6 1.0 C A:ASN59 3.6 26.5 1.0 OD1 A:ASP57 3.8 21.6 1.0 OD1 A:ASN59 4.0 80.4 1.0 OD1 A:ASP12 4.1 30.2 1.0 CG A:MET60 4.5 21.3 1.0 CA A:ASN59 4.5 26.5 1.0 N A:ASN59 4.5 26.5 1.0 NZ A:LYS109 4.6 36.5 1.0 N A:MET60 4.6 17.2 1.0 CG A:ASN59 4.7 80.4 1.0 CB A:ASP57 4.7 21.6 1.0 CB A:ASP13 4.7 27.7 1.0 CA A:MET60 4.7 17.2 1.0 N A:ASP13 4.8 24.1 1.0 CB A:ASN59 4.8 80.4 1.0 CG A:ASP12 5.0 30.2 1.0

M.Welch, N.Chinardet, L.Mourey, C.Birck, J.P.Samama. Structure of the Chey-Binding Domain of Histidine Kinase Chea in Complex with Chey. Nat.Struct.Biol. V. 5 25 1998.
ISSN: ISSN 1072-8368
PubMed: 9437425
DOI: 10.1038/NSB0198-25