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Bromine in PDB 1dn5: Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures

Protein crystallography data

The structure of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures, PDB code: 1dn5 was solved by B.Chevrier, A.C.Dock, B.Hartmann, M.Leng, D.Moras, M.T.Thuong, E.Westhof, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 17.930, 30.830, 44.730, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Bromine Binding Sites:

The binding sites of Bromine atom in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures (pdb code 1dn5). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures, PDB code: 1dn5:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 1dn5

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Bromine binding site 1 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:10.6
occ:1.00
BR A:CBR1 0.0 10.6 1.0
C5 A:CBR1 1.9 4.6 1.0
C4 A:CBR1 2.8 3.9 1.0
C6 A:CBR1 2.9 7.5 1.0
N4 A:CBR1 3.1 5.9 1.0
O A:HOH25 3.4 16.2 1.0
N4 B:CBR11 3.7 7.8 1.0
N3 A:CBR1 4.1 4.0 1.0
N1 A:CBR1 4.1 7.7 1.0
O B:HOH28 4.2 14.3 0.9
C4 B:CBR11 4.2 6.0 1.0
O A:HOH73 4.3 34.0 1.0
O A:HOH17 4.4 20.6 1.0
BR B:CBR11 4.5 10.9 1.0
C5 B:CBR11 4.6 1.3 1.0
C2 A:CBR1 4.7 5.2 1.0
O6 A:DG2 4.8 9.5 1.0
N3 B:CBR11 4.9 8.0 1.0

Bromine binding site 2 out of 6 in 1dn5

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Bromine binding site 2 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br3

b:13.3
occ:1.00
BR A:CBR3 0.0 13.3 1.0
C5 A:CBR3 1.8 8.0 1.0
C6 A:CBR3 2.8 5.5 1.0
C4 A:CBR3 2.9 9.2 1.0
N4 A:CBR3 3.1 7.3 1.0
O A:HOH60 3.5 19.4 0.8
N9 A:DG2 3.6 12.4 1.0
N4 B:CBR9 3.6 5.6 1.0
C2' A:DG2 3.7 9.8 1.0
C4 A:DG2 3.8 10.5 1.0
C8 A:DG2 3.8 5.5 1.0
N1 A:CBR3 4.0 7.5 1.0
C5 A:DG2 4.1 8.2 1.0
C1' A:DG2 4.1 9.9 1.0
O B:HOH67 4.1 25.5 0.8
N3 A:CBR3 4.1 8.2 1.0
N7 A:DG2 4.1 7.8 1.0
O A:HOH42 4.2 31.2 1.0
O6 A:DG4 4.2 7.1 1.0
C4 B:CBR9 4.3 9.3 1.0
N3 A:DG2 4.3 7.5 1.0
O A:HOH77 4.6 38.9 1.0
C2 A:CBR3 4.6 6.8 1.0
C3' A:DG2 4.9 11.7 1.0
C6 A:DG2 4.9 7.1 1.0
N3 B:CBR9 4.9 7.6 1.0
BR B:CBR9 5.0 12.5 1.0

Bromine binding site 3 out of 6 in 1dn5

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Bromine binding site 3 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br5

b:11.2
occ:1.00
BR A:CBR5 0.0 11.2 1.0
C5 A:CBR5 1.8 5.8 1.0
C6 A:CBR5 2.8 5.0 1.0
C4 A:CBR5 2.9 4.7 1.0
N4 A:CBR5 3.2 4.5 1.0
N9 A:DG4 3.7 2.6 1.0
N4 B:CBR7 3.8 4.7 1.0
O A:HOH22 3.8 18.9 1.0
C2' A:DG4 3.9 7.5 1.0
C4 A:DG4 3.9 5.1 1.0
C8 A:DG4 3.9 7.8 1.0
C5 A:DG4 4.0 4.8 1.0
N3 A:CBR5 4.0 4.4 1.0
N1 A:CBR5 4.1 4.1 1.0
N7 A:DG4 4.1 6.6 1.0
C1' A:DG4 4.3 7.3 1.0
C4 B:CBR7 4.4 7.7 1.0
N3 A:DG4 4.4 4.4 1.0
C2 A:CBR5 4.6 7.3 1.0
BR B:CBR7 4.7 12.2 1.0
O6 A:DG6 4.8 7.1 1.0
C6 A:DG4 4.8 8.2 1.0
C5 B:CBR7 4.9 11.1 1.0

Bromine binding site 4 out of 6 in 1dn5

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Bromine binding site 4 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br7

b:12.2
occ:1.00
BR B:CBR7 0.0 12.2 1.0
C5 B:CBR7 1.8 11.1 1.0
C6 B:CBR7 2.8 8.3 1.0
C4 B:CBR7 2.8 7.7 1.0
O B:HOH76 2.9 49.7 1.0
N4 B:CBR7 3.1 4.7 1.0
N4 A:CBR5 3.6 4.5 1.0
N1 B:CBR7 4.0 4.5 1.0
N3 B:CBR7 4.1 6.3 1.0
C4 A:CBR5 4.1 4.7 1.0
O B:HOH26 4.4 21.3 1.0
O B:HOH50 4.5 44.4 0.9
O6 B:DG8 4.6 8.9 1.0
C2 B:CBR7 4.6 7.1 1.0
C5 A:CBR5 4.7 5.8 1.0
BR A:CBR5 4.7 11.2 1.0
N3 A:CBR5 4.8 4.4 1.0

Bromine binding site 5 out of 6 in 1dn5

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Bromine binding site 5 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br9

b:12.5
occ:1.00
BR B:CBR9 0.0 12.5 1.0
C5 B:CBR9 1.9 9.2 1.0
C6 B:CBR9 2.8 5.3 1.0
C4 B:CBR9 2.8 9.3 1.0
N4 B:CBR9 3.1 5.6 1.0
N4 A:CBR3 3.6 7.3 1.0
C2' B:DG8 3.7 5.8 1.0
N9 B:DG8 3.7 4.5 1.0
C4 B:DG8 3.8 5.8 1.0
O B:HOH67 3.9 25.5 0.8
C8 B:DG8 4.0 7.6 1.0
O A:HOH60 4.0 19.4 0.8
N3 B:CBR9 4.1 7.6 1.0
C5 B:DG8 4.1 4.7 1.0
C1' B:DG8 4.1 5.5 1.0
N1 B:CBR9 4.1 6.8 1.0
O6 B:DG10 4.1 9.6 1.0
N7 B:DG8 4.2 8.3 1.0
N3 B:DG8 4.2 4.8 1.0
C4 A:CBR3 4.3 9.2 1.0
C2 B:CBR9 4.6 9.0 1.0
C6 B:DG8 4.9 5.1 1.0
C2 B:DG8 4.9 5.0 1.0
C5 A:CBR3 4.9 8.0 1.0
C3' B:DG8 4.9 6.0 1.0
N3 A:CBR3 4.9 8.2 1.0
BR A:CBR3 5.0 13.3 1.0

Bromine binding site 6 out of 6 in 1dn5

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Bromine binding site 6 out of 6 in the Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5BRC-G) in Crystals Grown at Two Temperatures within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br11

b:10.9
occ:1.00
BR B:CBR11 0.0 10.9 1.0
C5 B:CBR11 1.8 1.3 1.0
C6 B:CBR11 2.8 3.7 1.0
C4 B:CBR11 2.8 6.0 1.0
N4 B:CBR11 3.2 7.8 1.0
O B:HOH74 3.5 14.9 0.6
N4 A:CBR1 3.6 5.9 1.0
C2' B:DG10 3.7 6.6 1.0
O B:HOH28 3.7 14.3 0.9
N9 B:DG10 3.8 12.1 1.0
O A:HOH25 3.8 16.2 1.0
C8 B:DG10 4.0 4.8 1.0
C4 B:DG10 4.0 11.1 1.0
N1 B:CBR11 4.1 4.8 1.0
N3 B:CBR11 4.1 8.0 1.0
C1' B:DG10 4.2 7.5 1.0
C4 A:CBR1 4.2 3.9 1.0
C5 B:DG10 4.4 5.5 1.0
N7 B:DG10 4.4 10.3 1.0
BR A:CBR1 4.5 10.6 1.0
N3 B:DG10 4.5 7.7 1.0
C5 A:CBR1 4.6 4.6 1.0
C2 B:CBR11 4.6 3.2 1.0
O6 B:DG12 4.7 5.5 1.0
N3 A:CBR1 4.9 4.0 1.0
C3' B:DG10 5.0 9.1 1.0

Reference:

B.Chevrier, A.C.Dock, B.Hartmann, M.Leng, D.Moras, M.T.Thuong, E.Westhof. Solvation of the Left-Handed Hexamer D(5BRC-G-5BRC-G-5 Brc-G) in Crystals Grown at Two Temperatures. J.Mol.Biol. V. 188 707 1986.
ISSN: ISSN 0022-2836
PubMed: 3735433
DOI: 10.1016/S0022-2836(86)80016-X
Page generated: Sat Dec 12 01:59:57 2020

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