Magnesium in PDB 1em0: Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin

The structure of Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin, PDB code: 1em0 was solved by S.Neidle, M.Sanderson, M.Bennett, A.Krah, F.Wien, E.Garman, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 0.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	32.210, 32.210, 62.257, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.2

The structure of Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Bromine	(Br)	4 atoms

The binding sites of Magnesium atom in the Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin (pdb code 1em0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin, PDB code: 1em0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg27 b:10.8 occ:1.00 O A:HOH704 2.0 12.2 1.0 O A:HOH706 2.1 13.2 1.0 O A:HOH703 2.1 11.4 1.0 O A:HOH705 2.1 9.6 1.0 O A:HOH708 2.1 10.0 1.0 O A:HOH707 2.1 12.2 1.0 O A:HOH635 3.8 30.2 1.0 O A:HOH522 4.0 14.7 1.0 O A:HOH571 4.1 19.7 1.0 O A:HOH524 4.2 11.9 1.0 OP2 A:DT3 4.6 9.2 1.0 O A:HOH535 4.6 10.6 1.0 O A:HOH552 4.8 14.8 1.0

Magnesium binding site 2 out of 2 in the Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of D(Cctagg) with Tetra-[N-Methyl-Pyridyl] Porphyrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg28 b:10.9 occ:1.00 O C:HOH710 2.0 11.7 1.0 O C:HOH713 2.0 12.9 1.0 O C:HOH709 2.0 11.3 1.0 O C:HOH711 2.1 11.1 1.0 O C:HOH714 2.1 9.4 1.0 O C:HOH712 2.1 10.3 1.0 O C:HOH526 4.0 14.1 1.0 O C:HOH615 4.1 20.8 1.0 O C:HOH572 4.1 19.7 1.0 O C:HOH520 4.2 12.1 1.0 OP2 C:DT15 4.6 9.0 1.0 O C:HOH539 4.6 10.8 1.0 O C:HOH550 4.7 15.7 1.0

M.Bennett, A.Krah, F.Wien, E.Garman, R.Mckenna, M.Sanderson, S.Neidle. A Dna-Porphyrin Minor-Groove Complex at Atomic Resolution: the Structural Consequences of Porphyrin Ruffling. Proc.Natl.Acad.Sci.Usa V. 97 9476 2000.
ISSN: ISSN 0027-8424
PubMed: 10920199
DOI: 10.1073/PNAS.160271897