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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

Protein crystallography data

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

Other elements in 3rei:

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

Manganese Binding Sites:

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 3rei

Go back to Manganese Binding Sites List in 3rei
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 3rei

Go back to Manganese Binding Sites List in 3rei
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

Reference:

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
Page generated: Sat Oct 5 17:44:08 2024

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