Manganese in PDB 4dwy: Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex

The structure of Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex, PDB code: 4dwy was solved by P.K.Mandal, S.Venkadesh, N.Gautham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.56 / 1.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	24.484, 31.128, 31.675, 90.00, 103.33, 90.00
R / Rfree (%)	20 / 26.7

The binding sites of Manganese atom in the Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex (pdb code 4dwy). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex, PDB code: 4dwy:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn101 b:12.9 occ:1.00 O C:HOH101 2.2 12.3 1.0 N7 C:DG4 2.3 11.4 1.0 O A:HOH202 2.3 15.1 1.0 O C:HOH102 2.3 16.1 1.0 N7 A:DA2 2.4 9.4 1.0 C8 C:DG4 3.0 10.7 1.0 C8 A:DA2 3.2 9.7 1.0 C5 C:DG4 3.5 6.3 1.0 C5 A:DA2 3.5 11.0 1.0 N6 A:DA2 3.9 12.8 1.0 O6 C:DG4 4.0 14.1 1.0 O C:HOH108 4.1 23.7 1.0 C6 C:DG4 4.1 8.0 1.0 C6 A:DA2 4.1 11.1 1.0 OP2 C:DC3 4.3 15.1 0.5 N9 C:DG4 4.3 12.1 1.0 OP1 C:DC3 4.3 8.2 0.5 N9 A:DA2 4.4 9.1 1.0 O D:HOH101 4.4 13.7 1.0 C4 C:DG4 4.5 12.2 1.0 C4 A:DA2 4.6 10.4 1.0 C5' A:DC1 4.6 11.8 1.0 P C:DC3 4.7 17.7 0.5 O5' A:DC1 4.8 15.3 1.0 C5' C:DC3 4.9 20.4 1.0

Manganese binding site 2 out of 2 in the Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Interactions of MN2+ with A Non-Self-Complementary Z-Type Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn102 b:21.2 occ:0.70 N7 A:DG4 2.4 18.4 1.0 O6 A:DG4 2.5 11.1 1.0 C6 A:DG4 3.0 12.9 1.0 C5 A:DG4 3.0 15.8 1.0 C8 A:DG4 3.6 19.1 1.0 O B:HOH115 3.7 32.0 1.0 OP1 A:DC3 4.3 19.4 1.0 C4 A:DG4 4.3 15.3 1.0 N1 A:DG4 4.4 10.4 1.0 N9 A:DG4 4.6 18.3 1.0 N4 B:DC9 4.8 16.4 1.0 C6 A:DC3 4.9 17.1 1.0 O4' A:DC3 4.9 18.7 1.0

P.K.Mandal, S.Venkadesh, N.Gautham. Interactions of Mn(2+) with A Non-Self-Complementary Z-Type Dna Duplex Acta Crystallogr.,Sect.F V. 68 1420 2012.
ISSN: ESSN 1744-3091
PubMed: 23192018
DOI: 10.1107/S1744309112041759