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Bromine in PDB 6zy1: Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid

Protein crystallography data

The structure of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid, PDB code: 6zy1 was solved by D.Leys, T.Halliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 106.00 / 1.99
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.871, 170.104, 107.651, 90.00, 98.35, 90.00
R / Rfree (%) 17.7 / 21.1

Other elements in 6zy1:

The structure of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid also contains other interesting chemical elements:

Cobalt (Co) 3 atoms
Iron (Fe) 24 atoms
Sodium (Na) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid (pdb code 6zy1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid, PDB code: 6zy1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in 6zy1

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Bromine binding site 1 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br705

b:23.0
occ:0.42
BR1 A:QSB705 0.0 23.0 0.4
C02 A:QSB705 0.7 20.4 0.3
C05 A:QSB705 1.1 20.8 0.3
C04 A:QSB705 1.1 20.0 0.3
C01 A:QSB705 1.3 20.9 0.3
H051 A:QSB705 1.4 25.1 0.3
H041 A:QSB705 1.5 24.1 0.3
H011 A:QSB705 1.8 25.2 0.3
C03 A:QSB705 1.8 20.0 0.3
C02 A:QSB705 1.9 20.4 0.4
BR1 A:QSB705 2.0 18.0 0.3
C06 A:QSB705 2.2 20.6 0.3
C03 A:QSB705 2.2 19.7 0.3
C06 A:QSB705 2.4 20.6 0.3
C04 A:QSB705 2.7 20.8 0.3
O10 A:QSB705 2.8 17.7 0.3
C05 A:QSB705 2.9 21.1 0.3
C03 A:QSB705 2.9 21.2 0.4
C01 A:QSB705 2.9 20.8 0.4
C01 A:QSB705 2.9 20.8 0.3
C02 A:QSB705 3.0 20.5 0.3
H011 A:QSB705 3.0 25.0 0.4
O10 A:QSB705 3.1 21.0 0.4
O10 A:QSB705 3.3 17.1 0.3
H101 A:QSB705 3.4 25.3 0.4
C07 A:QSB705 3.4 21.5 0.3
H101 A:QSB705 3.4 21.3 0.3
H041 A:QSB705 3.5 25.1 0.3
O09 A:QSB705 3.6 21.6 0.3
H101 A:QSB705 3.7 20.6 0.3
C07 A:QSB705 3.7 21.6 0.3
NH1 A:ARG552 3.7 17.2 1.0
CZ A:PHE310 3.8 17.3 1.0
CE2 A:PHE310 3.8 18.4 1.0
H051 A:QSB705 3.8 25.4 0.3
H011 A:QSB705 3.8 25.0 0.3
CE A:MET423 3.8 21.9 1.0
O08 A:QSB705 4.0 21.6 0.3
CB A:PRO311 4.1 17.7 1.0
C04 A:QSB705 4.2 22.0 0.4
C06 A:QSB705 4.2 21.8 0.4
CZ A:ARG552 4.3 16.1 1.0
NH2 A:ARG552 4.4 17.3 1.0
CZ A:PHE291 4.5 17.1 1.0
O08 A:QSB705 4.5 22.6 0.3
CB A:SER422 4.7 14.3 1.0
CG A:PRO311 4.7 19.2 1.0
C05 A:QSB705 4.7 22.5 0.4
O09 A:QSB705 4.7 22.3 0.3
CB A:ALA560 4.8 16.1 1.0
CE2 A:PHE291 4.8 16.5 1.0
OG A:SER422 4.8 19.7 1.0
BR1 A:QSB705 4.8 16.1 0.3
CE1 A:PHE310 4.9 17.2 1.0
CE2 A:TYR426 4.9 18.1 1.0
H041 A:QSB705 4.9 26.5 0.4
CD2 A:PHE310 5.0 18.3 1.0
O A:HOH1015 5.0 13.8 1.0

Bromine binding site 2 out of 9 in 6zy1

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Bromine binding site 2 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br705

b:16.1
occ:0.29
BR1 A:QSB705 0.0 16.1 0.3
H041 A:QSB705 1.9 25.1 0.3
C02 A:QSB705 1.9 20.5 0.3
H101 A:QSB705 2.0 25.3 0.4
C04 A:QSB705 2.6 20.8 0.3
O10 A:QSB705 2.8 21.0 0.4
H101 A:QSB705 2.9 21.3 0.3
C03 A:QSB705 2.9 19.7 0.3
C01 A:QSB705 2.9 20.8 0.3
CO A:B12703 2.9 12.9 1.0
H011 A:QSB705 3.0 25.0 0.3
OH A:TYR426 3.0 18.2 1.0
O10 A:QSB705 3.1 17.1 0.3
NZ A:LYS488 3.1 14.4 1.0
N23 A:B12703 3.2 14.3 1.0
C03 A:QSB705 3.4 20.0 0.3
C05 A:QSB705 3.5 21.1 0.3
H051 A:QSB705 3.5 25.4 0.3
H101 A:QSB705 3.5 20.6 0.3
O10 A:QSB705 3.5 17.7 0.3
NH2 A:ARG552 3.6 17.3 1.0
N24 A:B12703 3.8 16.3 1.0
C03 A:QSB705 3.8 21.2 0.4
N22 A:B12703 3.8 13.1 1.0
N21 A:B12703 4.0 20.9 1.0
CE2 A:PHE291 4.0 16.5 1.0
C6 A:B12703 4.0 15.3 1.0
C16 A:B12703 4.1 14.5 1.0
C4 A:B12703 4.1 15.7 1.0
C14 A:B12703 4.1 15.1 1.0
C5 A:B12703 4.1 16.4 1.0
C19 A:B12703 4.2 17.5 1.0
C04 A:QSB705 4.2 20.0 0.3
C06 A:QSB705 4.2 20.6 0.3
CZ A:TYR426 4.3 20.2 1.0
C15 A:B12703 4.3 14.6 1.0
H041 A:QSB705 4.3 26.5 0.4
C37 A:B12703 4.3 14.4 1.0
C11 A:B12703 4.4 16.6 1.0
C9 A:B12703 4.4 11.3 1.0
C26 A:B12703 4.4 15.7 1.0
C04 A:QSB705 4.5 22.0 0.4
C1 A:B12703 4.5 14.1 1.0
CZ A:ARG552 4.5 16.1 1.0
CE A:LYS488 4.5 15.4 1.0
CZ A:PHE291 4.6 17.1 1.0
NH1 A:ARG552 4.6 17.2 1.0
C02 A:QSB705 4.6 20.4 0.4
C02 A:QSB705 4.7 20.4 0.3
C54 A:B12703 4.7 18.6 1.0
C06 A:QSB705 4.7 20.6 0.3
CE2 A:TYR426 4.7 18.1 1.0
C05 A:QSB705 4.7 20.8 0.3
C7 A:B12703 4.8 11.0 1.0
C10 A:B12703 4.8 12.3 1.0
BR1 A:QSB705 4.8 23.0 0.4
C2 A:B12703 4.9 16.3 1.0
H041 A:QSB705 4.9 24.1 0.3
C17 A:B12703 4.9 16.1 1.0
C3 A:B12703 5.0 14.2 1.0

Bromine binding site 3 out of 9 in 6zy1

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Bromine binding site 3 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br705

b:18.0
occ:0.29
BR1 A:QSB705 0.0 18.0 0.3
H041 A:QSB705 1.3 24.1 0.3
C02 A:QSB705 1.9 20.4 0.3
BR1 A:QSB705 2.0 23.0 0.4
C04 A:QSB705 2.1 20.0 0.3
H051 A:QSB705 2.6 25.1 0.3
C05 A:QSB705 2.7 20.8 0.3
C03 A:QSB705 2.9 20.0 0.3
C01 A:QSB705 2.9 20.9 0.3
H011 A:QSB705 2.9 25.2 0.3
O10 A:QSB705 3.1 17.7 0.3
C03 A:QSB705 3.3 19.7 0.3
CB A:ALA419 3.5 15.4 1.0
O A:HOH1015 3.6 13.8 1.0
CA A:ALA419 3.6 14.4 1.0
CB A:PRO311 3.6 17.7 1.0
NH1 A:ARG552 3.6 17.2 1.0
CB A:ALA560 3.7 16.1 1.0
O10 A:QSB705 3.7 17.1 0.3
CB A:SER422 3.7 14.3 1.0
OG A:SER422 3.7 19.7 1.0
H101 A:QSB705 3.8 20.6 0.3
C02 A:QSB705 3.8 20.4 0.4
H101 A:QSB705 3.9 21.3 0.3
CE A:MET423 3.9 21.9 1.0
C06 A:QSB705 4.1 20.6 0.3
C04 A:QSB705 4.2 20.8 0.3
C06 A:QSB705 4.2 20.6 0.3
CE2 A:PHE310 4.2 18.4 1.0
O A:ALA419 4.3 17.5 1.0
CA A:PRO311 4.4 18.5 1.0
H011 A:QSB705 4.5 25.0 0.4
C A:ALA419 4.5 17.1 1.0
C02 A:QSB705 4.5 20.5 0.3
O10 A:QSB705 4.6 21.0 0.4
C01 A:QSB705 4.6 20.8 0.4
N A:ALA419 4.6 13.6 1.0
CZ A:ARG552 4.7 16.1 1.0
C03 A:QSB705 4.7 21.2 0.4
C05 A:QSB705 4.7 21.1 0.3
CZ A:PHE310 4.8 17.3 1.0
C01 A:QSB705 4.8 20.8 0.3
CG A:PRO311 4.8 19.2 1.0
H041 A:QSB705 4.9 25.1 0.3
H101 A:QSB705 4.9 25.3 0.4

Bromine binding site 4 out of 9 in 6zy1

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Bromine binding site 4 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br705

b:19.7
occ:0.26
BR1 B:QSB705 0.0 19.7 0.3
H041 B:QSB705 1.8 26.4 0.3
C02 B:QSB705 1.9 22.1 0.3
O10 B:QSB705 2.6 21.9 0.5
H101 B:QSB705 2.6 23.1 0.3
C04 B:QSB705 2.6 21.9 0.3
CO B:B12703 2.8 16.1 1.0
C03 B:QSB705 2.9 21.5 0.3
C01 B:QSB705 2.9 22.5 0.3
H011 B:QSB705 3.0 27.1 0.3
N23 B:B12703 3.0 18.1 1.0
H101 B:QSB705 3.0 26.4 0.5
O10 B:QSB705 3.1 19.2 0.3
NZ B:LYS488 3.2 14.4 1.0
NH2 B:ARG552 3.2 19.2 1.0
OH B:TYR426 3.3 23.4 1.0
C03 B:QSB705 3.4 21.6 0.3
O10 B:QSB705 3.4 19.6 0.3
C05 B:QSB705 3.5 22.6 0.3
H051 B:QSB705 3.5 27.3 0.3
N22 B:B12703 3.6 19.9 1.0
C03 B:QSB705 3.6 22.7 0.5
N24 B:B12703 3.8 22.5 1.0
C6 B:B12703 3.8 16.2 1.0
CE2 B:PHE291 3.9 18.6 1.0
C14 B:B12703 4.0 13.8 1.0
N21 B:B12703 4.0 20.7 1.0
C37 B:B12703 4.0 20.4 1.0
H041 B:QSB705 4.1 26.5 0.5
C11 B:B12703 4.1 16.6 1.0
C16 B:B12703 4.1 19.0 1.0
C9 B:B12703 4.1 18.3 1.0
C5 B:B12703 4.1 17.1 1.0
C4 B:B12703 4.2 14.6 1.0
C04 B:QSB705 4.2 22.1 0.3
CZ B:ARG552 4.2 20.7 1.0
C06 B:QSB705 4.2 22.8 0.3
C15 B:B12703 4.2 16.4 1.0
C04 B:QSB705 4.3 22.0 0.5
H101 B:QSB705 4.3 23.7 0.3
NH1 B:ARG552 4.3 16.8 1.0
C19 B:B12703 4.3 18.6 1.0
O B:HOH823 4.4 22.7 1.0
C10 B:B12703 4.4 15.7 1.0
C7 B:B12703 4.5 18.1 1.0
CZ B:TYR426 4.5 19.4 1.0
C02 B:QSB705 4.6 22.9 0.5
C1 B:B12703 4.6 18.1 1.0
CZ B:PHE291 4.6 17.1 1.0
C02 B:QSB705 4.6 23.7 0.3
CE B:LYS488 4.6 16.8 1.0
C06 B:QSB705 4.7 22.8 0.3
C26 B:B12703 4.7 17.8 1.0
C05 B:QSB705 4.7 23.1 0.3
C54 B:B12703 4.8 11.4 1.0
BR1 B:QSB705 4.8 28.3 0.5
CD2 B:PHE291 4.9 18.3 1.0
C38 B:B12703 4.9 17.5 1.0
H041 B:QSB705 4.9 26.7 0.3
CE2 B:TYR426 4.9 17.5 1.0
C8 B:B12703 5.0 15.3 1.0
C17 B:B12703 5.0 15.4 1.0

Bromine binding site 5 out of 9 in 6zy1

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Bromine binding site 5 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br705

b:18.7
occ:0.26
BR1 B:QSB705 0.0 18.7 0.3
H041 B:QSB705 1.7 26.7 0.3
C02 B:QSB705 1.9 23.7 0.3
BR1 B:QSB705 2.1 28.3 0.5
C04 B:QSB705 2.3 22.1 0.3
H101 B:QSB705 2.7 23.7 0.3
H051 B:QSB705 2.8 27.9 0.3
C03 B:QSB705 2.9 21.6 0.3
C01 B:QSB705 2.9 22.9 0.3
C05 B:QSB705 2.9 23.1 0.3
H011 B:QSB705 3.0 27.6 0.3
O10 B:QSB705 3.1 19.6 0.3
C03 B:QSB705 3.3 21.5 0.3
O B:HOH1066 3.4 18.8 1.0
CB B:ALA419 3.5 14.9 1.0
CB B:ALA560 3.5 18.6 1.0
CA B:ALA419 3.5 15.4 1.0
NH1 B:ARG552 3.5 16.8 1.0
OG B:SER422 3.7 25.2 1.0
CB B:SER422 3.7 18.6 1.0
O10 B:QSB705 3.7 19.2 0.3
CB B:PRO311 3.8 21.1 1.0
C02 B:QSB705 4.0 22.9 0.5
C06 B:QSB705 4.2 22.8 0.3
C04 B:QSB705 4.2 21.9 0.3
C06 B:QSB705 4.2 22.8 0.3
CE1 B:PHE310 4.2 20.6 1.0
H101 B:QSB705 4.2 26.4 0.5
O B:ALA419 4.2 20.9 1.0
H101 B:QSB705 4.4 23.1 0.3
C B:ALA419 4.4 19.0 1.0
C02 B:QSB705 4.5 22.1 0.3
CE B:MET423 4.5 22.3 1.0
N B:ALA419 4.5 18.2 1.0
CZ B:ARG552 4.5 20.7 1.0
CA B:PRO311 4.6 19.2 1.0
H011 B:QSB705 4.6 28.6 0.5
C05 B:QSB705 4.7 22.6 0.3
O10 B:QSB705 4.7 21.9 0.5
C01 B:QSB705 4.8 23.7 0.5
C01 B:QSB705 4.8 22.5 0.3
CZ B:PHE310 4.9 18.1 1.0
C03 B:QSB705 4.9 22.7 0.5
H041 B:QSB705 4.9 26.4 0.3
CD1 B:PHE310 4.9 18.9 1.0
CG B:PRO311 5.0 21.9 1.0

Bromine binding site 6 out of 9 in 6zy1

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Bromine binding site 6 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br705

b:28.3
occ:0.48
BR1 B:QSB705 0.0 28.3 0.5
C02 B:QSB705 0.6 23.7 0.3
C01 B:QSB705 1.1 22.9 0.3
C05 B:QSB705 1.2 23.1 0.3
C04 B:QSB705 1.4 22.1 0.3
H051 B:QSB705 1.6 27.9 0.3
H011 B:QSB705 1.7 27.6 0.3
C03 B:QSB705 1.8 21.6 0.3
H041 B:QSB705 1.8 26.7 0.3
C02 B:QSB705 1.9 22.9 0.5
BR1 B:QSB705 2.1 18.7 0.3
C06 B:QSB705 2.2 22.8 0.3
C06 B:QSB705 2.2 22.8 0.3
C03 B:QSB705 2.4 21.5 0.3
C04 B:QSB705 2.6 21.9 0.3
C05 B:QSB705 2.8 22.6 0.3
H101 B:QSB705 2.8 26.4 0.5
O10 B:QSB705 2.9 19.6 0.3
C01 B:QSB705 2.9 22.5 0.3
C03 B:QSB705 2.9 22.7 0.5
C01 B:QSB705 2.9 23.7 0.5
C02 B:QSB705 3.0 22.1 0.3
H011 B:QSB705 3.0 28.6 0.5
H101 B:QSB705 3.0 23.7 0.3
O10 B:QSB705 3.1 21.9 0.5
C07 B:QSB705 3.3 23.8 0.3
O10 B:QSB705 3.4 19.2 0.3
H041 B:QSB705 3.5 26.4 0.3
C07 B:QSB705 3.5 24.0 0.3
O09 B:QSB705 3.6 24.3 0.3
H051 B:QSB705 3.7 27.3 0.3
H011 B:QSB705 3.7 27.1 0.3
NH1 B:ARG552 3.7 16.8 1.0
CE1 B:PHE310 3.8 20.6 1.0
CZ B:PHE310 3.9 18.1 1.0
O08 B:QSB705 3.9 24.2 0.3
H101 B:QSB705 4.0 23.1 0.3
CB B:PRO311 4.1 21.1 1.0
CE B:MET423 4.1 22.3 1.0
C04 B:QSB705 4.2 22.0 0.5
C06 B:QSB705 4.2 24.7 0.5
O08 B:QSB705 4.4 23.6 0.3
CZ B:ARG552 4.4 20.7 1.0
NH2 B:ARG552 4.4 19.2 1.0
O09 B:QSB705 4.5 23.4 0.3
CB B:SER422 4.6 18.6 1.0
CG B:PRO311 4.6 21.9 1.0
CZ B:PHE291 4.7 17.1 1.0
C05 B:QSB705 4.7 23.4 0.5
OG B:SER422 4.7 25.2 1.0
BR1 B:QSB705 4.8 19.7 0.3
CB B:ALA560 4.8 18.6 1.0
CE2 B:TYR426 4.8 17.5 1.0
CE2 B:PHE291 4.8 18.6 1.0
H041 B:QSB705 4.9 26.5 0.5
CD1 B:PHE310 4.9 18.9 1.0
O B:HOH1066 4.9 18.8 1.0

Bromine binding site 7 out of 9 in 6zy1

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Bromine binding site 7 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br705

b:28.2
occ:0.28
BR1 C:QSB705 0.0 28.2 0.3
H041 C:QSB705 1.3 33.1 0.3
BR1 C:QSB705 1.8 29.3 0.4
C02 C:QSB705 1.9 27.9 0.3
C04 C:QSB705 2.2 27.5 0.3
H051 C:QSB705 2.7 34.2 0.3
C05 C:QSB705 2.8 28.4 0.3
C03 C:QSB705 2.9 27.2 0.3
C01 C:QSB705 2.9 28.4 0.3
H011 C:QSB705 3.0 34.1 0.3
O10 C:QSB705 3.1 23.6 0.3
H101 C:QSB705 3.2 28.1 0.3
C03 C:QSB705 3.3 27.3 0.3
CB C:ALA419 3.4 21.6 1.0
OG C:SER422 3.5 30.2 1.0
CB C:SER422 3.5 24.2 1.0
CA C:ALA419 3.5 20.2 1.0
O C:HOH947 3.6 25.5 1.0
CB C:ALA560 3.7 19.6 1.0
C02 C:QSB705 3.7 28.6 0.4
O10 C:QSB705 3.7 23.3 0.3
NH1 C:ARG552 3.7 22.1 1.0
CB C:PRO311 3.8 26.1 1.0
H101 C:QSB705 3.8 28.4 0.3
CE C:MET423 3.9 27.2 1.0
C06 C:QSB705 4.2 28.6 0.3
C04 C:QSB705 4.2 28.4 0.3
C06 C:QSB705 4.2 28.7 0.3
O C:ALA419 4.2 23.0 1.0
CE1 C:PHE310 4.3 24.2 1.0
H011 C:QSB705 4.3 35.2 0.4
C C:ALA419 4.4 23.1 1.0
O10 C:QSB705 4.5 28.7 0.4
CA C:PRO311 4.5 26.5 1.0
C01 C:QSB705 4.5 29.2 0.4
C02 C:QSB705 4.5 28.6 0.3
C03 C:QSB705 4.6 28.6 0.4
N C:ALA419 4.6 25.6 1.0
C05 C:QSB705 4.7 28.5 0.3
CZ C:ARG552 4.7 22.1 1.0
C01 C:QSB705 4.9 28.4 0.3
H041 C:QSB705 4.9 34.2 0.3
CA C:SER422 4.9 24.2 1.0

Bromine binding site 8 out of 9 in 6zy1

Go back to Bromine Binding Sites List in 6zy1
Bromine binding site 8 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br705

b:28.7
occ:0.29
BR1 C:QSB705 0.0 28.7 0.3
H041 C:QSB705 1.6 34.2 0.3
H101 C:QSB705 1.8 34.6 0.4
C02 C:QSB705 1.9 28.6 0.3
O10 C:QSB705 2.4 28.7 0.4
C04 C:QSB705 2.4 28.4 0.3
CO C:B12703 2.8 21.9 1.0
C01 C:QSB705 2.9 28.4 0.3
C03 C:QSB705 2.9 27.3 0.3
H011 C:QSB705 3.0 34.1 0.3
OH C:TYR426 3.0 24.7 1.0
H051 C:QSB705 3.0 34.3 0.3
N23 C:B12703 3.1 25.3 1.0
C05 C:QSB705 3.1 28.5 0.3
H101 C:QSB705 3.1 28.4 0.3
O10 C:QSB705 3.1 23.3 0.3
NZ C:LYS488 3.1 23.4 1.0
C03 C:QSB705 3.3 28.6 0.4
C03 C:QSB705 3.4 27.2 0.3
H041 C:QSB705 3.5 33.5 0.4
N22 C:B12703 3.6 29.9 1.0
O10 C:QSB705 3.7 23.6 0.3
NH2 C:ARG552 3.7 19.9 1.0
N24 C:B12703 3.7 29.4 1.0
C04 C:QSB705 3.7 27.8 0.4
C6 C:B12703 3.8 23.0 1.0
N21 C:B12703 3.9 26.2 1.0
H101 C:QSB705 3.9 28.1 0.3
C5 C:B12703 4.0 25.7 1.0
C16 C:B12703 4.0 25.9 1.0
C14 C:B12703 4.0 25.1 1.0
CE2 C:PHE291 4.0 25.8 1.0
C4 C:B12703 4.0 24.1 1.0
C37 C:B12703 4.1 26.9 1.0
C19 C:B12703 4.2 27.4 1.0
C9 C:B12703 4.2 21.8 1.0
C04 C:QSB705 4.2 27.5 0.3
C06 C:QSB705 4.2 28.6 0.3
C11 C:B12703 4.2 23.5 1.0
C15 C:B12703 4.2 25.9 1.0
CZ C:TYR426 4.3 24.2 1.0
C26 C:B12703 4.3 25.4 1.0
C02 C:QSB705 4.4 28.6 0.4
C06 C:QSB705 4.4 28.7 0.3
C1 C:B12703 4.5 24.6 1.0
C7 C:B12703 4.5 19.8 1.0
CE C:LYS488 4.6 26.1 1.0
C02 C:QSB705 4.6 27.9 0.3
C10 C:B12703 4.6 22.9 1.0
CZ C:ARG552 4.7 22.1 1.0
CZ C:PHE291 4.7 29.7 1.0
C54 C:B12703 4.7 22.2 1.0
C05 C:QSB705 4.7 28.4 0.3
NH1 C:ARG552 4.8 22.1 1.0
CE2 C:TYR426 4.8 23.2 1.0
C2 C:B12703 4.8 23.2 1.0
C35 C:B12703 4.9 22.6 1.0
C17 C:B12703 4.9 21.8 1.0
BR1 C:QSB705 4.9 29.3 0.4
H041 C:QSB705 4.9 33.1 0.3
C3 C:B12703 5.0 25.3 1.0
ND2 C:ASN452 5.0 25.5 0.4
C38 C:B12703 5.0 23.1 1.0
C05 C:QSB705 5.0 29.9 0.4

Bromine binding site 9 out of 9 in 6zy1

Go back to Bromine Binding Sites List in 6zy1
Bromine binding site 9 out of 9 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged in Complex with 3-Bromo-4-Hydroxybenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br705

b:29.3
occ:0.43
BR1 C:QSB705 0.0 29.3 0.4
C02 C:QSB705 0.6 27.9 0.3
C04 C:QSB705 1.0 27.5 0.3
H041 C:QSB705 1.2 33.1 0.3
C05 C:QSB705 1.2 28.4 0.3
C01 C:QSB705 1.4 28.4 0.3
H051 C:QSB705 1.5 34.2 0.3
H011 C:QSB705 1.8 34.1 0.3
C03 C:QSB705 1.8 27.2 0.3
BR1 C:QSB705 1.8 28.2 0.3
C02 C:QSB705 1.9 28.6 0.4
C03 C:QSB705 2.2 27.3 0.3
C06 C:QSB705 2.4 28.6 0.3
C06 C:QSB705 2.5 28.7 0.3
C04 C:QSB705 2.8 28.4 0.3
O10 C:QSB705 2.8 23.6 0.3
C03 C:QSB705 2.9 28.6 0.4
C01 C:QSB705 2.9 29.2 0.4
H011 C:QSB705 3.0 35.2 0.4
C05 C:QSB705 3.0 28.5 0.3
C02 C:QSB705 3.1 28.6 0.3
O10 C:QSB705 3.1 28.7 0.4
H101 C:QSB705 3.1 28.1 0.3
C01 C:QSB705 3.1 28.4 0.3
O10 C:QSB705 3.2 23.3 0.3
H101 C:QSB705 3.4 28.4 0.3
H041 C:QSB705 3.6 34.2 0.3
NH1 C:ARG552 3.6 22.1 1.0
C07 C:QSB705 3.6 29.8 0.3
CE1 C:PHE310 3.8 24.2 1.0
C07 C:QSB705 3.8 29.8 0.3
CE C:MET423 3.8 27.2 1.0
O09 C:QSB705 3.9 29.2 0.3
H101 C:QSB705 3.9 34.6 0.4
H051 C:QSB705 3.9 34.3 0.3
CZ C:PHE310 4.0 27.4 1.0
H011 C:QSB705 4.0 34.1 0.3
O08 C:QSB705 4.1 29.1 0.3
CB C:PRO311 4.2 26.1 1.0
C04 C:QSB705 4.2 27.8 0.4
C06 C:QSB705 4.2 29.9 0.4
NH2 C:ARG552 4.2 19.9 1.0
CZ C:ARG552 4.2 22.1 1.0
CB C:SER422 4.4 24.2 1.0
OG C:SER422 4.4 30.2 1.0
CB C:ALA560 4.6 19.6 1.0
C05 C:QSB705 4.7 29.9 0.4
CZ C:PHE291 4.7 29.7 1.0
O08 C:QSB705 4.7 30.0 0.3
O C:HOH947 4.8 25.5 1.0
CE2 C:TYR426 4.8 23.2 1.0
O09 C:QSB705 4.9 29.9 0.3
CD1 C:PHE310 4.9 27.8 1.0
BR1 C:QSB705 4.9 28.7 0.3
H041 C:QSB705 4.9 33.5 0.4
CG C:PRO311 4.9 24.9 1.0

Reference:

T.Halliwell, K.Fisher, K.A.P.Payne, S.E.J.Rigby, D.Leys. Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope. Microorganisms V. 8 2020.
ISSN: ISSN 2076-2607
PubMed: 32887524
DOI: 10.3390/MICROORGANISMS8091344
Page generated: Sat Dec 12 02:43:21 2020

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