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Bromine in PDB 2w7n: Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation

Protein crystallography data

The structure of Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation, PDB code: 2w7n was solved by B.Koenig, J.J.Mueller, E.Lanka, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.74 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.830, 115.450, 49.880, 90.00, 114.00, 90.00
R / Rfree (%) 17 / 20.1

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation (pdb code 2w7n). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation, PDB code: 2w7n:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 2w7n

Go back to Bromine Binding Sites List in 2w7n
Bromine binding site 1 out of 6 in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation


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 Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br2

b:56.7
occ:0.25
 BR F:BRU2 0.0 56.7 0.2
C5 F:BRU2 1.9 51.8 0.5
N7 G:DA2 2.3 28.6 0.5
C6 F:BRU2 2.9 51.5 0.5
C4 F:BRU2 2.9 49.1 0.5
C8 G:DA2 3.0 27.9 0.5
O4 F:BRU2 3.0 47.1 0.5
C2' F:DC1 3.4 73.1 0.5
C8 G:DA1 3.4 45.2 0.5
O G:HOH2006 3.6 45.5 1.0
C5 G:DA2 3.6 23.6 0.5
C6 F:DC1 3.7 69.4 0.5
N7 G:DA1 3.8 44.9 0.5
O G:HOH2001 3.8 45.2 1.0
C2' G:DA1 3.8 42.5 0.5
N1 F:DC1 3.9 68.7 0.5
N9 G:DA1 4.0 42.0 0.5
C1' F:DC1 4.1 72.8 0.5
N3 F:BRU2 4.2 47.4 0.5
N1 F:BRU2 4.2 51.3 0.5
C5 F:DC1 4.2 65.3 0.5
N6 G:DA2 4.2 32.0 0.5
C7 G:DT3 4.2 29.9 0.5
N9 G:DA2 4.3 28.7 0.5
C6 G:DA2 4.4 29.7 0.5
O4 G:DT3 4.4 28.3 0.5
O4 F:BRU3 4.4 43.6 0.5
C2 F:DC1 4.5 66.0 0.5
C5 G:DA1 4.5 41.9 0.5
C1' G:DA1 4.5 43.2 0.5
BR F:BRU3 4.5 49.2 0.2
C4 G:DA1 4.6 40.7 0.5
C4 G:DA2 4.6 25.9 0.5
C2 F:BRU2 4.7 47.1 0.5
C4 F:DC1 4.7 59.7 0.5
C3' F:DC1 4.7 79.9 0.5
N3 F:DC1 4.8 61.5 0.5
C5 G:DT3 4.9 27.6 0.5
C4 G:DT3 4.9 29.8 0.5

Bromine binding site 2 out of 6 in 2w7n

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Bromine binding site 2 out of 6 in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation


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 Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br3

b:49.2
occ:0.25
 BR F:BRU3 0.0 49.2 0.2
C7 G:DT3 0.3 29.9 0.5
C5 G:DT3 1.5 27.6 0.5
C5 F:BRU3 1.9 42.0 0.5
C6 G:DT3 2.5 29.4 0.5
C4 G:DT3 2.5 29.8 0.5
O4 G:DT3 2.9 28.3 0.5
C6 F:BRU3 2.9 43.1 0.5
C4 F:BRU3 2.9 43.8 0.5
O4 F:BRU3 3.0 43.6 0.5
O G:HOH2006 3.6 45.5 1.0
C8 G:DA2 3.7 27.9 0.5
O F:HOH2001 3.7 31.8 1.0
CZ A:ARG48 3.7 33.5 1.0
C6 F:BRU2 3.8 51.5 0.5
N3 G:DT3 3.8 29.3 0.5
N1 G:DT3 3.8 24.2 0.5
NE A:ARG48 3.8 32.0 1.0
N7 G:DA2 3.9 28.6 0.5
C2' F:BRU2 3.9 51.5 0.5
NH1 A:ARG48 4.0 37.7 1.0
O G:HOH2001 4.0 45.2 1.0
C5 F:BRU2 4.0 51.8 0.5
N9 G:DA2 4.1 28.7 0.5
NH2 A:ARG48 4.1 42.4 1.0
CD A:ARG48 4.2 31.8 1.0
C2' G:DA2 4.2 31.0 0.5
N1 F:BRU2 4.2 51.3 0.5
N3 F:BRU3 4.2 41.9 0.5
N1 F:BRU3 4.2 41.6 0.5
C5 G:DA2 4.2 23.6 0.5
C2 G:DT3 4.3 25.3 0.5
C4 G:DA2 4.4 25.9 0.5
BR F:BRU2 4.5 56.7 0.2
C4 F:BRU2 4.6 49.1 0.5
C1' F:BRU2 4.7 52.9 0.5
C1' G:DA2 4.7 30.5 0.5
C2 F:BRU3 4.7 42.5 0.5
C2 F:BRU2 4.8 47.1 0.5
C1' G:DT3 5.0 22.9 0.5
N3 F:BRU2 5.0 47.4 0.5
N7 F:DG4 5.0 35.0 0.5

Bromine binding site 3 out of 6 in 2w7n

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Bromine binding site 3 out of 6 in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br17

b:69.6
occ:0.25
 BR F:BRU17 0.0 69.6 0.2
N7 G:DA17 1.6 41.5 0.5
C5 F:BRU17 1.9 62.8 0.5
C8 G:DA17 2.5 39.9 0.5
C6 F:BRU17 2.9 62.8 0.5
C5 G:DA17 2.9 40.4 0.5
C4 F:BRU17 2.9 58.8 0.5
O4 F:BRU17 3.0 57.1 0.5
C8 G:DA16 3.4 36.7 0.5
N7 G:DA16 3.4 36.9 0.5
N6 G:DA17 3.6 42.6 0.5
C7 F:DT18 3.6 66.4 0.5
C6 G:DA17 3.6 41.4 0.5
N9 G:DA17 3.7 36.4 0.5
N9 G:DA16 3.8 38.5 0.5
C8 F:DA16 3.9 44.1 0.5
C5 G:DA16 3.9 37.0 0.5
C4 G:DA17 3.9 37.3 0.5
N7 F:DA16 4.0 41.5 0.5
O4 F:DT18 4.1 62.8 0.5
C4 G:DA16 4.2 34.5 0.5
N9 F:DA16 4.2 42.7 0.5
N1 F:BRU17 4.2 60.2 0.5
N3 F:BRU17 4.2 55.7 0.5
C2' F:DA16 4.2 50.8 0.5
O G:HOH2032 4.2 49.8 1.0
C5 F:DA16 4.3 38.4 0.5
C5 F:DT18 4.3 64.2 0.5
C4 F:DA16 4.4 36.8 0.5
C2' G:DA16 4.4 42.4 0.5
C4 F:DT18 4.5 61.0 0.5
C1' G:DA16 4.6 39.0 0.5
C2 F:BRU17 4.7 56.7 0.5
C6 G:DA16 4.7 38.8 0.5
C1' F:DA16 4.8 44.0 0.5
N7 G:DG18 4.8 49.1 0.5
O6 G:DG18 4.9 53.4 0.5
N1 G:DA17 5.0 43.7 0.5
C1' G:DA17 5.0 41.4 0.5

Bromine binding site 4 out of 6 in 2w7n

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Bromine binding site 4 out of 6 in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br2

b:52.2
occ:0.25
 BR H:BRU2 0.0 52.2 0.2
C5 H:BRU2 1.9 52.0 0.5
N7 E:DA2 2.3 38.5 0.5
C6 H:BRU2 2.8 52.6 0.5
C4 H:BRU2 2.9 49.2 0.5
O4 H:BRU2 3.0 46.0 0.5
C8 E:DA2 3.2 36.1 0.5
C6 H:DC1 3.5 57.9 0.5
C5 E:DA2 3.5 36.2 0.5
C8 E:DA1 3.6 43.4 0.5
N7 E:DA1 3.6 43.1 0.5
C5 H:DC1 3.7 55.6 0.5
C2' H:DC1 3.7 57.2 0.5
N1 H:DC1 3.8 54.7 0.5
N6 E:DA2 3.9 32.8 0.5
O4 E:DT3 4.1 26.0 0.5
C6 E:DA2 4.1 35.3 0.5
N1 H:BRU2 4.2 49.7 0.5
N9 E:DA1 4.2 42.1 0.5
C7 E:DT3 4.2 28.9 0.5
N3 H:BRU2 4.2 46.2 0.5
C4 H:DC1 4.2 51.4 0.5
C5 E:DA1 4.2 40.5 0.5
BR H:BRU3 4.2 58.3 0.2
C2 H:DC1 4.3 52.8 0.5
C1' H:DC1 4.3 58.0 0.5
N9 E:DA2 4.4 33.4 0.5
N3 H:DC1 4.5 51.8 0.5
C4 E:DA1 4.5 42.4 0.5
O4 H:BRU3 4.6 51.4 0.5
C4 E:DA2 4.6 32.6 0.5
C2' E:DA1 4.7 42.3 0.5
C4 E:DT3 4.7 25.0 0.5
C2 H:BRU2 4.7 47.5 0.5
C5 E:DT3 4.8 23.0 0.5
C1' E:DA1 4.9 44.4 0.5
N4 H:DC1 5.0 47.4 0.5

Bromine binding site 5 out of 6 in 2w7n

Go back to Bromine Binding Sites List in 2w7n
Bromine binding site 5 out of 6 in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br3

b:58.3
occ:0.25
 BR H:BRU3 0.0 58.3 0.2
C7 E:DT3 0.5 28.9 0.5
C5 E:DT3 1.2 23.0 0.5
C5 H:BRU3 1.9 52.1 0.5
C4 E:DT3 2.1 25.0 0.5
C6 E:DT3 2.4 28.1 0.5
O4 E:DT3 2.4 26.0 0.5
C6 H:BRU3 2.9 53.8 0.5
C4 H:BRU3 2.9 51.9 0.5
O4 H:BRU3 3.0 51.4 0.5
N3 E:DT3 3.4 23.7 0.5
C6 H:BRU2 3.5 52.6 0.5
NE B:ARG48 3.6 37.4 1.0
N7 E:DA2 3.6 38.5 0.5
N1 E:DT3 3.6 26.8 0.5
CZ B:ARG48 3.6 42.6 1.0
C5 H:BRU2 3.6 52.0 0.5
C8 E:DA2 3.7 36.1 0.5
N1 H:BRU2 3.9 49.7 0.5
C2' H:BRU2 4.0 52.6 0.5
CD B:ARG48 4.0 34.7 1.0
O H:HOH2002 4.0 42.7 1.0
NH1 B:ARG48 4.0 41.9 1.0
C5 E:DA2 4.0 36.2 0.5
NH2 B:ARG48 4.0 43.5 1.0
C2 E:DT3 4.0 26.2 0.5
N9 E:DA2 4.1 33.4 0.5
N1 H:BRU3 4.2 52.6 0.5
N3 H:BRU3 4.2 50.4 0.5
C4 H:BRU2 4.2 49.2 0.5
BR H:BRU2 4.2 52.2 0.2
C4 E:DA2 4.3 32.6 0.5
C2 H:BRU2 4.5 47.5 0.5
N7 E:DG4 4.5 29.0 0.5
N3 H:BRU2 4.6 46.2 0.5
C1' H:BRU2 4.6 52.2 0.5
C2' E:DA2 4.6 32.7 0.5
N7 H:DG4 4.6 39.9 0.5
O6 E:DG4 4.7 27.5 0.5
C6 E:DA2 4.7 35.3 0.5
C2 H:BRU3 4.7 50.8 0.5
O4 H:BRU2 4.8 46.0 0.5
C1' E:DT3 4.9 26.2 0.5
C1' E:DA2 4.9 35.5 0.5

Bromine binding site 6 out of 6 in 2w7n

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Bromine binding site 6 out of 6 in the Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br17

b:51.2
occ:0.25
 BR H:BRU17 0.0 51.2 0.2
C5 H:BRU17 1.9 43.0 0.5
N7 E:DA17 2.1 40.4 0.5
C8 E:DA17 2.8 37.4 0.5
C4 H:BRU17 2.9 40.8 0.5
C6 H:BRU17 2.9 41.9 0.5
O4 H:BRU17 3.0 37.4 0.5
C5 E:DA17 3.4 37.4 0.5
C2' H:DA16 3.6 41.5 0.5
C8 E:DA16 3.6 39.2 0.5
C8 H:DA16 3.7 35.4 0.5
N9 H:DA16 3.8 35.5 0.5
N7 E:DA16 3.8 38.4 0.5
N9 E:DA16 3.9 37.2 0.5
C2' E:DA16 4.1 41.5 0.5
N6 E:DA17 4.1 40.7 0.5
N7 H:DA16 4.1 35.0 0.5
N9 E:DA17 4.1 36.0 0.5
C5 E:DA16 4.1 34.1 0.5
C4 H:DA16 4.1 31.4 0.5
N3 H:BRU17 4.2 40.1 0.5
C6 E:DA17 4.2 38.0 0.5
N1 H:BRU17 4.2 41.9 0.5
C1' H:DA16 4.2 35.5 0.5
C4 E:DA16 4.2 34.9 0.5
C5 H:DA16 4.3 33.1 0.5
C4 E:DA17 4.4 36.4 0.5
C1' E:DA16 4.5 34.4 0.5
C2 H:BRU17 4.7 41.7 0.5
O H:HOH2021 4.8 47.8 1.0
N3 H:DA16 4.8 31.4 0.5
C7 H:DT18 4.8 52.7 0.5
O4 H:DT18 4.8 47.4 0.5
C6 E:DA16 4.9 34.4 0.5
OP2 H:BRU17 5.0 54.3 0.5

Reference:

B.Koenig, J.J.Mueller, E.Lanka, U.Heinemann. Crystal Structure of Kora Bound to Operator Dna: Insight Into Repressor Cooperation in RP4 Gene Regulation Nucleic Acids Res. V. 37 1915 2009.
ISSN: ISSN 0305-1048
PubMed: 19190096
DOI: 10.1093/NAR/GKP044
Page generated: Sat Dec 12 02:09:10 2020

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