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Bromine in PDB 1f6j: Crystal Structure of the E-Dna Hexamer GGCGBR5CC

Protein crystallography data

The structure of Crystal Structure of the E-Dna Hexamer GGCGBR5CC, PDB code: 1f6j was solved by J.M.Vargason, B.F.Eichman, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.25
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.400, 60.400, 24.704, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 25.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC (pdb code 1f6j). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC, PDB code: 1f6j:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1f6j

Go back to Bromine Binding Sites List in 1f6j
Bromine binding site 1 out of 2 in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the E-Dna Hexamer GGCGBR5CC within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br5

b:47.3
occ:1.00
BR A:CBR5 0.0 47.3 1.0
C5 A:CBR5 1.9 34.9 1.0
C6 A:CBR5 2.8 37.0 1.0
C4 A:CBR5 2.8 37.5 1.0
N4 A:CBR5 3.0 43.3 1.0
C5 A:DG4 3.7 25.6 1.0
C4 A:DG4 3.7 25.1 1.0
OP2 A:CBR5 3.8 49.9 1.0
N9 A:DG4 3.9 27.4 1.0
N7 A:DG4 4.0 28.4 1.0
C8 A:DG4 4.1 25.3 1.0
C3' A:DG4 4.1 40.7 1.0
N1 A:CBR5 4.1 38.4 1.0
N3 A:CBR5 4.1 35.5 1.0
N3 A:DG4 4.1 27.4 1.0
C6 A:DG4 4.1 27.1 1.0
O5' A:CBR5 4.2 47.5 1.0
C2' A:DG4 4.3 35.1 1.0
N1 A:DG4 4.4 26.0 1.0
C2 A:DG4 4.4 25.4 1.0
C5 A:DC6 4.5 31.5 1.0
P A:CBR5 4.6 44.0 1.0
C2 A:CBR5 4.6 34.1 1.0
C1' A:DG4 4.7 31.8 1.0
O6 A:DG4 4.8 26.0 1.0
N4 A:DC6 4.8 31.5 1.0
O3' A:DG4 4.9 46.4 1.0

Bromine binding site 2 out of 2 in 1f6j

Go back to Bromine Binding Sites List in 1f6j
Bromine binding site 2 out of 2 in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the E-Dna Hexamer GGCGBR5CC within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br11

b:34.9
occ:1.00
BR B:CBR11 0.0 34.9 1.0
C5 B:CBR11 1.9 25.8 1.0
C6 B:CBR11 2.8 26.5 1.0
C4 B:CBR11 2.8 26.5 1.0
N4 B:CBR11 3.0 25.6 1.0
O B:HOH37 3.5 75.4 1.0
C5 B:DG10 3.7 23.1 1.0
N7 B:DG10 3.8 25.3 1.0
C4 B:DG10 3.8 24.1 1.0
C8 B:DG10 3.8 23.3 1.0
N9 B:DG10 3.9 26.4 1.0
OP2 B:CBR11 3.9 23.9 1.0
O B:HOH18 4.0 39.2 1.0
C2' B:DG10 4.1 24.7 1.0
O B:HOH19 4.1 34.3 1.0
N3 B:CBR11 4.1 26.1 1.0
N1 B:CBR11 4.1 24.8 1.0
O B:HOH39 4.1 68.6 1.0
C3' B:DG10 4.2 26.7 1.0
C6 B:DG10 4.3 25.2 1.0
N3 B:DG10 4.4 21.6 1.0
O5' B:CBR11 4.5 22.3 1.0
C1' B:DG10 4.6 25.7 1.0
C2 B:CBR11 4.6 25.7 1.0
N1 B:DG10 4.8 23.0 1.0
P B:CBR11 4.8 23.9 1.0
C2 B:DG10 4.8 21.6 1.0
O6 B:DG10 4.9 31.8 1.0
N4 B:DC12 4.9 22.8 1.0

Reference:

J.M.Vargason, B.F.Eichman, P.S.Ho. The Extended and Eccentric E-Dna Structure Induced By Cytosine Methylation or Bromination. Nat.Struct.Biol. V. 7 758 2000.
ISSN: ISSN 1072-8368
PubMed: 10966645
DOI: 10.1038/78985
Page generated: Wed Jul 10 16:31:46 2024

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