Manganese in PDB 3kgz: Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris

The structure of Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris, PDB code: 3kgz was solved by J.B.Bonanno, J.Freeman, K.T.Bain, J.Do, R.Romero, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.854, 80.382, 110.081, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.8

The binding sites of Manganese atom in the Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris (pdb code 3kgz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris, PDB code: 3kgz:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris


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 A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:29.5 occ:1.00 NE2 A:HIS82 2.2 26.8 1.0 NE2 A:HIS78 2.3 20.5 1.0 OE2 A:GLU76 2.3 29.8 1.0 NE2 A:HIS116 2.3 22.2 1.0 O A:HOH191 2.4 30.8 1.0 O A:HOH303 2.4 42.0 1.0 CE1 A:HIS116 3.0 23.5 1.0 CD2 A:HIS82 3.1 27.5 1.0 CE1 A:HIS78 3.2 19.7 1.0 CE1 A:HIS82 3.3 29.8 1.0 CD2 A:HIS78 3.3 22.8 1.0 CD A:GLU76 3.4 27.7 1.0 CD2 A:HIS116 3.5 21.5 1.0 CG A:GLU76 3.7 25.9 1.0 ND1 A:HIS116 4.3 23.2 1.0 O A:HOH217 4.3 44.8 1.0 CG A:HIS82 4.3 21.3 1.0 ND1 A:HIS82 4.3 28.6 1.0 ND1 A:HIS78 4.4 19.7 1.0 CG A:HIS78 4.4 22.5 1.0 OE1 A:GLU76 4.4 27.5 1.0 CG A:HIS116 4.5 21.3 1.0 NE2 A:HIS80 4.7 18.4 1.0 O A:HOH203 4.8 31.2 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris


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 A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2 b:39.1 occ:1.00 OE2 B:GLU76 2.2 34.5 1.0 NE2 B:HIS82 2.2 33.9 1.0 NE2 B:HIS78 2.3 25.7 1.0 NE2 B:HIS116 2.4 26.8 1.0 O B:HOH304 2.5 47.2 1.0 O B:HOH197 2.8 42.5 1.0 CE1 B:HIS116 3.1 28.8 1.0 CD2 B:HIS82 3.1 32.0 1.0 CE1 B:HIS82 3.2 33.5 1.0 CE1 B:HIS78 3.2 26.0 1.0 CD B:GLU76 3.3 33.1 1.0 CD2 B:HIS78 3.3 28.7 1.0 CD2 B:HIS116 3.6 27.3 1.0 CG B:GLU76 3.6 31.6 1.0 CG B:HIS82 4.3 27.5 1.0 ND1 B:HIS82 4.3 32.8 1.0 ND1 B:HIS116 4.3 26.5 1.0 OE1 B:GLU76 4.4 33.9 1.0 ND1 B:HIS78 4.4 27.0 1.0 CG B:HIS78 4.4 28.6 1.0 O B:HOH291 4.5 49.1 1.0 CG B:HIS116 4.6 27.0 1.0 NE2 B:HIS80 4.7 22.5 1.0 O B:HOH280 4.7 47.2 1.0 O B:HOH185 4.9 29.8 1.0

J.B.Bonanno, J.Freeman, K.T.Bain, J.Do, R.Romero, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of A Cupin 2 Conserved Barrel Domain Protein From Rhodopseudomonas Palustris To Be Published.