Manganese in PDB 2a2t: Crystal Structure of D(Aaatattt)

The structure of Crystal Structure of D(Aaatattt), PDB code: 2a2t was solved by N.Valls, M.Richter, J.A.Subirana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.623, 24.985, 82.139, 90.00, 90.51, 90.00
R / Rfree (%)	27.2 / 35.7

The structure of Crystal Structure of D(Aaatattt) also contains other interesting chemical elements:

Arsenic

(As)

6 atoms

The binding sites of Manganese atom in the Crystal Structure of D(Aaatattt) (pdb code 2a2t). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Crystal Structure of D(Aaatattt), PDB code: 2a2t:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the Crystal Structure of D(Aaatattt)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of D(Aaatattt) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn106 b:51.5 occ:1.00 O1 E:CAC206 2.3 65.7 1.0 O E:HOH210 3.5 2.0 1.0 O E:HOH211 3.6 2.0 1.0 AS E:CAC206 3.9 67.2 1.0 C2 E:CAC206 4.5 65.5 1.0 O2 E:CAC205 4.8 82.5 1.0

Manganese binding site 2 out of 6 in the Crystal Structure of D(Aaatattt)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of D(Aaatattt) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn101 b:30.0 occ:1.00 O2 E:CAC201 2.1 43.9 1.0 O1 E:CAC202 2.5 72.0 1.0 AS E:CAC201 3.7 45.0 1.0 AS E:CAC202 4.1 71.9 1.0 O1 E:CAC201 4.4 42.8 1.0 OP2 E:DA2 4.4 30.3 1.0 C2 E:CAC201 4.6 43.8 1.0 C2 E:CAC202 4.7 72.2 1.0 O2 E:CAC202 4.9 70.6 1.0

Manganese binding site 3 out of 6 in the Crystal Structure of D(Aaatattt)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of D(Aaatattt) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn102 b:76.9 occ:1.00 OP2 E:DA3 2.6 38.3 1.0 O1 E:CAC204 2.9 59.2 1.0 P E:DA3 3.5 38.1 1.0 OP1 E:DA3 3.6 37.1 1.0 AS E:CAC204 4.3 59.5 1.0 O2 E:CAC204 4.3 57.8 1.0 O5' E:DA3 4.6 36.9 1.0 O3' E:DA2 4.7 36.1 1.0 C3' E:DA2 5.0 33.6 1.0

Manganese binding site 4 out of 6 in the Crystal Structure of D(Aaatattt)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of D(Aaatattt) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn103 b:50.4 occ:1.00 O2 E:CAC203 2.2 62.3 1.0 O2 E:CAC202 2.6 70.6 1.0 O2 E:CAC204 2.7 57.8 1.0 AS E:CAC203 3.9 62.7 1.0 AS E:CAC202 4.2 71.9 1.0 AS E:CAC204 4.3 59.5 1.0 OP1 E:DA2 4.3 30.4 1.0 OP2 E:DA2 4.4 30.3 1.0 O1 E:CAC203 4.5 61.4 1.0 P E:DA2 4.7 30.0 1.0 C1 E:CAC204 4.8 58.6 1.0 C2 E:CAC202 4.8 72.2 1.0 O1 E:CAC202 4.9 72.0 1.0 C2 E:CAC203 5.0 61.5 1.0 O5' E:DA2 5.0 30.8 1.0

Manganese binding site 5 out of 6 in the Crystal Structure of D(Aaatattt)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of D(Aaatattt) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn104 b:87.3 occ:1.00 C2 E:CAC204 3.5 58.2 1.0 C1 E:CAC205 3.7 83.2 1.0 O1 E:CAC205 3.9 82.2 1.0 C8 E:DA2 3.9 33.8 1.0 N7 E:DA2 4.0 34.5 1.0 O1 E:CAC201 4.1 42.8 1.0 AS E:CAC205 4.4 83.1 1.0 N9 E:DA2 4.9 33.2 1.0 C2 E:CAC205 4.9 82.1 1.0 C2' E:DA2 4.9 32.8 1.0

Manganese binding site 6 out of 6 in the Crystal Structure of D(Aaatattt)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of D(Aaatattt) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn105 b:43.9 occ:1.00 O2 E:CAC205 2.1 82.5 1.0 O2 E:CAC206 2.7 65.8 1.0 AS E:CAC205 3.1 83.1 1.0 C1 E:CAC205 3.1 83.2 1.0 O1 E:CAC205 4.0 82.2 1.0 AS E:CAC206 4.1 67.2 1.0 O1 E:CAC206 4.3 65.7 1.0 C2 E:CAC201 4.3 43.8 1.0 C2 E:CAC205 4.8 82.1 1.0

N.Valls, M.Richter, J.A.Subirana. Structure of A Dna Duplex with All-at Base Pairs. Acta Crystallogr.,Sect.D V. 61 1587 2005.
ISSN: ISSN 0907-4449
PubMed: 16301792
DOI: 10.1107/S0907444905029781