Manganese in PDB 3rei: 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride

The structure of 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride, PDB code: 3rei 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)	58.00 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.877, 109.904, 181.701, 90.00, 90.00, 90.00
R / Rfree (%)	26 / 27.6

The structure of 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride also contains other interesting chemical elements:

Platinum

(Pt)

49 atoms

The binding sites of Manganese atom in the 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride (pdb code 3rei). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride, PDB code: 3rei:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) 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 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn1001 b:54.5 occ:1.00 OD1 E:ASP77 2.1 57.8 1.0 CG E:ASP77 3.1 55.5 1.0 OD2 E:ASP77 3.4 56.8 1.0 OE1 E:GLN76 4.1 55.0 1.0 O F:LEU22 4.3 61.6 1.0 CB E:ASP77 4.4 54.8 1.0 O E:GLU73 4.4 50.9 1.0 N E:ASP77 4.6 54.5 1.0 CA E:ASP77 4.7 55.3 1.0 CG E:GLU73 4.8 49.9 1.0 CD E:GLN76 5.0 54.2 1.0

Manganese binding site 2 out of 2 in the 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) 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 2.65 Angstrom Crystal Structure of the Nucleosome Core Particle Assembled with A 145 Bp Alpha-Satellite Dna (NCP145) Derivatized with Triamminechloroplatinum(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ H:Mn1013 b:0.3 occ:1.00 O H:VAL45 3.0 76.8 1.0 C H:VAL45 3.8 77.0 1.0 CA H:VAL45 4.2 77.2 1.0 OE1 G:GLU64 4.5 77.3 1.0 O H:GLN44 4.6 79.0 1.0 N H:HIS46 4.9 76.9 1.0 O1 H:SO41103 4.9 94.9 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