Manganese in PDB 1pey: Crystal Structure of the Response Regulator SPO0F Complexed with MN2+

The structure of Crystal Structure of the Response Regulator SPO0F Complexed with MN2+, PDB code: 1pey was solved by D.Mukhopadhyay, U.Sen, J.Zapf, K.I.Varughese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.128, 103.128, 83.641, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 25.8

The binding sites of Manganese atom in the Crystal Structure of the Response Regulator SPO0F Complexed with MN2+ (pdb code 1pey). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of the Response Regulator SPO0F Complexed with MN2+, PDB code: 1pey:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of the Response Regulator SPO0F Complexed with MN2+


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 the Response Regulator SPO0F Complexed with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:51.4 occ:1.00 OD2 A:ASP54 2.1 41.3 1.0 OD1 A:ASP11 2.2 38.3 1.0 O A:HOH911 2.2 41.3 1.0 O A:HOH977 2.3 63.3 1.0 O A:LYS56 2.3 42.2 1.0 O A:HOH976 2.6 63.0 1.0 CG A:ASP54 3.1 38.8 1.0 CG A:ASP11 3.2 36.6 1.0 OD1 A:ASP54 3.3 40.2 1.0 OD2 A:ASP11 3.5 39.8 1.0 C A:LYS56 3.5 42.6 1.0 NZ A:LYS104 3.8 40.8 1.0 OD1 A:ASP10 4.1 30.9 1.0 OE1 A:GLN12 4.3 44.6 1.0 CB A:LYS56 4.3 50.0 1.0 N A:ILE57 4.4 42.5 1.0 CA A:LYS56 4.4 43.2 1.0 CG1 A:ILE57 4.4 34.5 1.0 CB A:ASP54 4.4 35.5 1.0 N A:ASP11 4.5 33.5 1.0 CA A:ILE57 4.5 41.2 1.0 CB A:ASP11 4.5 36.1 1.0 CG A:ASP10 4.6 30.5 1.0 OD2 A:ASP10 4.7 32.5 1.0 CG A:GLN12 4.7 42.3 1.0 N A:LYS56 4.8 37.9 1.0 CD A:GLN12 4.9 44.2 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of the Response Regulator SPO0F Complexed with MN2+


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 the Response Regulator SPO0F Complexed with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn702 b:52.8 occ:1.00 O B:HOH978 2.1 62.8 1.0 OD2 B:ASP54 2.1 39.0 1.0 O B:LYS56 2.1 50.5 1.0 O B:HOH973 2.3 63.0 1.0 O B:HOH901 2.3 46.7 1.0 OD2 B:ASP11 2.4 42.9 1.0 CG B:ASP54 3.0 36.3 1.0 OD1 B:ASP54 3.1 35.4 1.0 C B:LYS56 3.3 49.2 1.0 CG B:ASP11 3.4 43.5 1.0 OD1 B:ASP11 3.8 46.5 1.0 OD1 B:ASP10 4.0 45.4 1.0 NZ B:LYS104 4.0 57.0 1.0 CB B:LYS56 4.1 58.2 1.0 CG1 B:ILE57 4.1 45.7 1.0 CA B:LYS56 4.1 51.0 1.0 N B:ILE57 4.2 47.3 1.0 CA B:ILE57 4.4 49.8 1.0 CB B:ASP54 4.4 37.4 1.0 N B:ASP11 4.4 41.7 1.0 N B:LYS56 4.5 45.7 1.0 OE1 B:GLN12 4.5 50.4 1.0 CG B:ASP10 4.6 47.2 1.0 CB B:ASP11 4.7 41.4 1.0 OD2 B:ASP10 4.7 47.8 1.0 O B:HOH941 4.9 49.2 1.0 CB B:ILE57 4.9 46.6 1.0 CA B:ASP11 5.0 41.5 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of the Response Regulator SPO0F Complexed with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Response Regulator SPO0F Complexed with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn703 b:59.3 occ:1.00 O C:HOH975 2.3 62.3 1.0 OD1 C:ASP11 2.4 50.6 1.0 O C:HOH974 2.4 63.4 1.0 OD2 C:ASP54 2.5 40.7 1.0 O C:LYS56 2.6 51.6 1.0 CG C:ASP54 3.3 38.5 1.0 OD1 C:ASP54 3.3 36.4 1.0 CG C:ASP11 3.4 50.2 1.0 C C:LYS56 3.6 50.5 1.0 OD2 C:ASP11 3.7 53.9 1.0 NZ C:LYS104 3.8 56.3 1.0 OD1 C:ASP10 4.2 43.0 1.0 CB C:LYS56 4.3 60.5 1.0 NE2 C:GLN12 4.3 56.4 1.0 CA C:LYS56 4.4 51.6 1.0 N C:ILE57 4.6 50.6 1.0 CG C:GLN12 4.6 54.0 1.0 CG1 C:ILE57 4.6 44.0 1.0 N C:ASP11 4.7 44.7 1.0 CB C:ASP54 4.7 36.9 1.0 CA C:ILE57 4.7 49.3 1.0 CB C:ASP11 4.7 48.2 1.0 CG C:ASP10 4.7 42.0 1.0 N C:LYS56 4.7 47.4 1.0 OD2 C:ASP10 4.8 43.6 1.0 CD C:GLN12 5.0 55.4 1.0 N C:GLN12 5.0 46.0 1.0

D.Mukhopadhyay, U.Sen, J.Zapf, K.I.Varughese. Metals in the Sporulation Phosphorelay: Manganese Binding By the Response Regulator SPO0F. Acta Crystallogr.,Sect.D V. 60 638 2004.
ISSN: ISSN 0907-4449
PubMed: 15039551
DOI: 10.1107/S0907444904002148