Manganese in PDB 3rel: 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride

The structure of 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride, PDB code: 3rel was solved by B.Wu, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.659, 109.697, 175.654, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 30.2

The structure of 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride also contains other interesting chemical elements:

Platinum

(Pt)

48 atoms

The binding sites of Manganese atom in the 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride (pdb code 3rel). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride, PDB code: 3rel:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:50.3 occ:1.00 OD1 A:ASP77 2.1 56.7 1.0 CG A:ASP77 3.3 52.8 1.0 OD2 A:ASP77 3.8 55.5 1.0 O A:GLU73 4.4 41.8 1.0 O B:LEU22 4.4 50.1 1.0 OE1 A:GLN76 4.5 54.8 1.0 N A:ASP77 4.5 48.8 1.0 CB A:ASP77 4.5 50.1 1.0 CA A:ASP77 4.7 50.0 1.0 CB A:GLN76 4.8 47.5 1.0 CG A:GLU73 4.9 40.9 1.0

Manganese binding site 2 out of 2 in the 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 2.7 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 146 Bp Alpha-Satellite Dna (NCP146B) Derivatized with Triamminechloroplatinum(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1007 b:0.9 occ:1.00 O D:VAL45 2.8 72.1 1.0 C D:VAL45 3.6 71.7 1.0 CA D:VAL45 4.0 71.5 1.0 OE1 C:GLU64 4.3 72.2 1.0 O3 D:SO41101 4.4 89.1 1.0 N D:HIS46 4.6 72.0 1.0 O D:GLN44 4.7 72.2 1.0 CB D:VAL45 4.8 71.7 1.0 CD D:PRO47 5.0 73.2 1.0

B.Wu, G.E.Davey, A.A.Nazarov, P.J.Dyson, C.A.Davey. Specific Dna Structural Attributes Modulate Platinum Anticancer Drug Site Selection and Cross-Link Generation. Nucleic Acids Res. V. 39 8200 2011.
ISSN: ISSN 0305-1048
PubMed: 21724603
DOI: 10.1093/NAR/GKR491