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Manganese in PDB 3fq5: Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2

Protein crystallography data

The structure of Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2, PDB code: 3fq5 was solved by S.Venkadesh, R.Kannan, P.K.Mandal, N.Gautham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.71 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 24.612, 31.257, 31.962, 90.00, 103.64, 90.00
R / Rfree (%) 16.5 / 20.2

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2 (pdb code 3fq5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2, PDB code: 3fq5:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3fq5

Go back to Manganese Binding Sites List in 3fq5
Manganese binding site 1 out of 2 in the Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2


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(Cacgcg).D(Cgcgtg) with 10MM MNCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn7

b:22.3
occ:1.00
N7 D:DG10 2.4 3.8 1.0
N7 A:DA2 2.5 3.4 1.0
O A:HOH9 2.5 21.7 1.0
C8 A:DA2 3.1 6.1 1.0
C8 D:DG10 3.3 4.0 1.0
C5 D:DG10 3.5 2.0 1.0
C5 A:DA2 3.8 4.8 1.0
O6 D:DG10 3.9 6.6 1.0
OP1 D:DC9 3.9 28.1 1.0
C6 D:DG10 4.1 6.2 1.0
N6 A:DA2 4.2 9.0 1.0
N9 A:DA2 4.4 4.4 1.0
N9 D:DG10 4.5 4.8 1.0
C6 A:DA2 4.5 6.5 1.0
C4 D:DG10 4.6 2.7 1.0
C5' A:DC1 4.7 6.5 1.0
C4 A:DA2 4.8 2.8 1.0

Manganese binding site 2 out of 2 in 3fq5

Go back to Manganese Binding Sites List in 3fq5
Manganese binding site 2 out of 2 in the Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2


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(Cacgcg).D(Cgcgtg) with 10MM MNCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn8

b:37.9
occ:1.00
N7 A:DG4 2.2 15.7 1.0
O A:HOH10 2.2 11.7 1.0
C5 A:DG4 3.2 14.5 1.0
C8 A:DG4 3.2 19.2 1.0
O6 A:DG4 3.5 9.0 1.0
C6 A:DG4 3.7 11.9 1.0
C4 A:DG4 4.4 16.9 1.0
N9 A:DG4 4.4 17.6 1.0
N4 A:DC5 4.9 8.9 1.0

Reference:

S.Venkadesh, P.K.Mandal, N.Gautham. Crystal Structure of D(Cacgcg).D(Cgcgtg) with 10MM MNCL2 To Be Published.
Page generated: Sat Oct 5 16:18:56 2024

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