Manganese in PDB 1r8a: Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes

All present enzymatic activity of Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes:
2.7.7.25;

The structure of Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes, PDB code: 1r8a was solved by Y.Xiong, F.Li, J.Wang, A.M.Weiner, T.A.Steitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.35 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.453, 78.726, 77.396, 90.00, 98.03, 90.00
R / Rfree (%)	18.6 / 24.2

The structure of Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes (pdb code 1r8a). 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 Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes, PDB code: 1r8a:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn603 b:76.6 occ:0.50 OD2 A:ASP218 1.8 27.5 1.0 NE2 A:HIS133 2.1 33.5 1.0 CG A:ASP218 2.8 22.9 1.0 CE1 A:HIS133 2.9 38.3 1.0 CD A:ARG129 3.2 59.9 1.0 CD2 A:HIS133 3.2 37.2 1.0 CB A:ARG129 3.4 48.0 1.0 OD1 A:ASP218 3.4 23.0 1.0 NH1 A:ARG129 3.5 66.0 1.0 CG A:ARG129 3.7 54.7 1.0 CB A:ASP218 4.0 20.5 1.0 NE A:ARG129 4.0 64.2 1.0 CG A:ARG224 4.0 28.9 1.0 ND1 A:HIS133 4.1 41.5 1.0 CZ A:ARG129 4.1 65.6 1.0 CG A:HIS133 4.2 28.3 1.0 O A:HOH691 4.5 35.7 1.0 CE2 A:TYR173 4.5 19.4 1.0 CB A:VAL220 4.5 27.3 1.0 CB A:ARG224 4.6 26.6 1.0 CG1 A:VAL220 4.6 31.9 1.0 CA A:ARG129 4.7 47.2 1.0 CB A:ASP221 4.8 24.9 1.0 CD A:ARG224 4.9 38.5 1.0 O A:ARG129 4.9 43.0 1.0 N A:ASP221 5.0 26.0 1.0 OH A:TYR173 5.0 24.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn604 b:58.6 occ:0.50 OD2 A:ASP110 1.7 23.2 1.0 OD1 A:ASP61 2.2 28.2 1.0 O A:HOH750 2.6 68.6 1.0 OE2 A:GLU59 2.8 46.0 1.0 CD A:GLU59 2.8 46.6 1.0 OD2 A:ASP61 2.9 24.6 1.0 CG A:ASP61 2.9 28.7 1.0 CG A:ASP110 3.0 29.6 1.0 CG A:GLU59 3.0 41.7 1.0 OE1 A:GLU59 3.5 47.3 1.0 OD1 A:ASP110 3.8 26.6 1.0 CB A:ASP110 3.9 26.1 1.0 OE2 A:GLU108 4.2 41.8 1.0 CB A:ASP61 4.3 29.1 1.0 CB A:GLU59 4.4 38.0 1.0 O A:ILE60 4.7 32.2 1.0 CA A:ASP61 4.9 28.7 1.0 N A:ASP110 5.0 25.1 1.0

Y.Xiong, F.Li, J.Wang, A.M.Weiner, T.A.Steitz. Crystal Structures of An Archaeal Class I Cca-Adding Enzyme and Its Nucleotide Complexes Mol.Cell V. 12 1165 2003.
ISSN: ISSN 1097-2765
PubMed: 14636575
DOI: 10.1016/S1097-2765(03)00440-4