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Bromine in PDB 4p98: Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684

Protein crystallography data

The structure of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684, PDB code: 4p98 was solved by C.Chang, M.Endres, G.Joachimiak, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.68 / 1.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.091, 79.091, 139.713, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 20.3

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Bromine atom in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 (pdb code 4p98). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 22 binding sites of Bromine where determined in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684, PDB code: 4p98:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 22 in 4p98

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Bromine binding site 1 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:46.8
occ:1.00
 O A:HOH712 3.0 48.2 1.0
OH A:TYR138 3.1 20.9 1.0
CD1 A:LEU143 3.9 26.9 1.0
CZ3 A:TRP52 3.9 16.6 1.0
CZ A:TYR138 4.0 19.8 1.0
CE1 A:PHE140 4.0 29.2 1.0
CE2 A:TYR138 4.1 19.7 1.0
CD1 A:PHE49 4.2 15.5 1.0
CH2 A:TRP52 4.2 15.3 1.0
CB A:PHE49 4.4 14.9 1.0
CD1 A:PHE140 4.5 27.4 1.0
O A:HOH679 4.6 42.1 1.0
O A:HOH600 4.6 30.4 1.0
CG A:PHE49 4.7 15.0 1.0
CE3 A:TRP52 5.0 15.4 1.0

Bromine binding site 2 out of 22 in 4p98

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Bromine binding site 2 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:23.7
occ:1.00
 O A:HOH588 3.1 20.4 1.0
O A:HOH639 3.3 25.8 1.0
OG A:SER120 3.3 12.9 1.0
N A:ILE99 3.4 12.5 1.0
O A:HOH679 3.7 42.1 1.0
CB A:SER120 3.9 12.7 1.0
CA A:GLY98 4.0 13.8 1.0
CZ A:PHE49 4.0 15.5 1.0
CB A:ILE99 4.0 16.0 1.0
CE1 A:TYR138 4.1 18.4 1.0
C A:GLY98 4.1 12.1 1.0
CA A:ILE99 4.2 14.4 1.0
N A:GLY121 4.3 13.7 1.0
CE1 A:PHE49 4.4 14.7 1.0
O A:HOH686 4.4 52.7 1.0
O A:HOH714 4.4 40.2 1.0
C A:SER120 4.5 12.5 1.0
CG2 A:ILE99 4.5 17.1 1.0
CA A:GLY121 4.6 15.8 1.0
O A:HOH635 4.6 30.7 1.0
N A:GLY98 4.7 13.9 1.0
O A:SER120 4.8 15.2 1.0
CD1 A:TYR138 4.8 16.2 1.0
CA A:SER120 4.9 12.2 1.0
OH A:TYR138 4.9 20.9 1.0
CE2 A:PHE49 4.9 14.8 1.0
O A:GLY121 4.9 14.5 1.0
CH2 A:TRP136 5.0 13.0 1.0
CZ A:TYR138 5.0 19.8 1.0

Bromine binding site 3 out of 22 in 4p98

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Bromine binding site 3 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:30.4
occ:1.00
 N A:ASP114 3.4 21.4 1.0
CA A:PHE112 3.5 19.3 1.0
C A:PHE112 3.6 20.9 1.0
CD A:PRO113 3.7 25.1 1.0
N A:PRO113 3.7 22.7 1.0
CB A:ASP114 3.8 26.4 1.0
CB A:PHE112 3.9 18.1 1.0
CA A:ASP114 4.0 23.3 1.0
CD1 A:PHE112 4.2 21.6 1.0
O A:PHE112 4.2 18.1 1.0
CG2 A:VAL115 4.2 17.7 1.0
N A:VAL115 4.2 18.7 1.0
CG A:ASP114 4.4 31.2 1.0
C A:ASP114 4.4 20.6 1.0
OD2 A:ASP114 4.5 37.2 1.0
C A:PRO113 4.5 22.2 1.0
CG A:PHE112 4.5 19.8 1.0
CA A:PRO113 4.6 23.9 1.0
O A:HOH643 4.8 29.6 1.0
CG A:PRO113 4.8 27.8 1.0
O A:HOH751 4.8 43.7 1.0
O A:GLU111 4.8 20.9 1.0
N A:PHE112 4.9 19.1 1.0

Bromine binding site 4 out of 22 in 4p98

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Bromine binding site 4 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br404

b:26.5
occ:1.00
 O A:HOH575 3.0 27.8 1.0
N A:GLN167 3.3 13.5 1.0
O A:HOH727 3.5 37.7 1.0
CA A:GLY197 3.7 18.7 1.0
OE1 A:GLN167 3.7 28.1 1.0
CG A:GLN167 3.7 16.7 1.0
CB A:GLN167 3.9 14.6 1.0
CA A:PRO166 4.0 14.6 1.0
CD A:GLN167 4.1 19.2 1.0
C A:PRO166 4.2 13.8 1.0
CA A:GLN167 4.2 13.6 1.0
N A:GLY197 4.4 19.4 1.0
C A:GLY197 4.7 19.1 1.0
O A:GLY197 4.7 20.6 1.0
CB A:PRO166 4.7 15.9 1.0
O A:GLY165 4.8 15.0 1.0

Bromine binding site 5 out of 22 in 4p98

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Bromine binding site 5 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br405

b:24.2
occ:0.70
 N A:GLY289 3.4 17.4 1.0
NE2 A:GLN142 3.5 26.7 1.0
CA A:GLY289 3.8 17.6 1.0
CB A:LEU320 3.8 18.6 1.0
O A:HOH565 3.8 38.3 1.0
CB A:ALA287 3.9 13.5 1.0
OE1 A:GLN142 3.9 22.7 1.0
CD A:GLN142 4.1 23.6 1.0
N A:LEU288 4.2 13.8 1.0
CD2 A:LEU320 4.5 19.6 1.0
C A:LEU288 4.5 17.4 1.0
CG A:LEU320 4.5 18.4 1.0
CD1 A:LEU320 4.5 19.0 1.0
CB A:LEU288 4.6 18.8 1.0
O A:LEU320 4.7 17.0 1.0
CA A:LEU288 4.7 16.7 1.0
O A:HOH563 4.8 43.3 1.0
C A:LEU320 4.8 17.2 1.0
C A:ALA287 4.8 13.1 1.0
O A:HOH591 4.8 21.3 1.0
CA A:LEU320 4.9 18.8 1.0
CA A:ALA287 4.9 13.3 1.0

Bromine binding site 6 out of 22 in 4p98

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Bromine binding site 6 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br406

b:25.5
occ:0.50
 OD1 A:ASP139 1.8 15.8 0.3
OD2 A:ASP139 2.3 20.4 0.3
CG A:ASP139 2.3 17.6 0.3
N A:GLY141 3.5 18.5 1.0
CE1 A:PHE331 3.7 29.0 1.0
CA A:GLY141 3.7 18.8 1.0
CD1 A:PHE331 3.7 26.7 1.0
CB A:ASP139 3.8 19.9 0.7
O A:HOH765 3.8 45.7 1.0
CB A:ASP139 3.8 16.5 0.3
N A:PHE330 3.8 24.7 1.0
CB A:PHE330 4.0 26.9 1.0
CD2 A:PHE330 4.2 29.0 1.0
O A:HOH737 4.2 42.6 1.0
OD1 A:ASN329 4.2 39.6 1.0
CG A:ASP139 4.2 22.2 0.7
CA A:PHE330 4.4 24.9 1.0
N A:PHE140 4.4 15.4 1.0
CA A:ASP139 4.5 16.7 0.7
CA A:ASP139 4.5 15.8 0.3
C A:ASP139 4.5 15.6 0.7
C A:ASP139 4.5 15.6 0.3
CG A:PHE330 4.6 26.7 1.0
OD1 A:ASP139 4.6 23.6 0.7
N A:PHE331 4.7 25.5 1.0
O A:HOH617 4.7 28.6 1.0
C A:PHE140 4.7 17.2 1.0
C A:GLY141 4.7 19.0 1.0
OD2 A:ASP139 4.8 27.8 0.7
CB A:ALA173 4.8 16.5 1.0
C A:PHE330 4.8 24.4 1.0
N A:GLN142 4.9 20.5 1.0
C A:ASN329 4.9 30.6 1.0
CZ A:PHE331 5.0 27.6 1.0

Bromine binding site 7 out of 22 in 4p98

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Bromine binding site 7 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br407

b:47.6
occ:1.00
 NH1 A:ARG84 3.3 24.4 1.0
OE2 A:GLU80 3.5 31.0 1.0
CD A:GLU80 3.8 28.3 1.0
CG A:GLU80 4.0 27.0 1.0
CD A:PRO81 4.1 25.3 1.0
CG A:PRO81 4.3 26.4 1.0
CZ A:ARG84 4.3 23.2 1.0
NH2 A:ARG84 4.3 21.6 1.0
CB A:GLU80 4.5 22.1 1.0
N A:PRO81 4.5 23.6 1.0
O A:HOH623 4.6 26.0 1.0
OE1 A:GLU80 4.6 31.6 1.0
CB A:PRO81 4.8 24.5 1.0
CA A:PRO81 4.9 22.4 1.0

Bromine binding site 8 out of 22 in 4p98

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Bromine binding site 8 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br408

b:45.0
occ:1.00
 N A:LEU202 3.2 15.9 1.0
N A:GLN203 3.6 17.2 1.0
CG A:GLN203 3.8 28.2 1.0
CB A:LEU202 3.8 16.7 1.0
CD A:GLN203 3.9 28.4 1.0
CA A:LEU202 3.9 16.6 1.0
C A:ASP201 4.0 15.8 1.0
OD1 A:ASP201 4.0 19.5 1.0
CA A:ASP201 4.1 18.3 1.0
OE1 A:GLN203 4.2 34.7 1.0
O A:TYR200 4.2 23.9 1.0
C A:LEU202 4.3 16.8 1.0
NE2 A:GLN203 4.3 20.2 1.0
CB A:GLN203 4.3 22.5 1.0
CG A:LEU202 4.3 18.1 1.0
CA A:GLN203 4.6 17.8 1.0
CG A:ASP201 4.7 22.3 1.0
CD1 A:LEU202 4.9 19.8 1.0
O A:ASP201 5.0 15.5 1.0

Bromine binding site 9 out of 22 in 4p98

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Bromine binding site 9 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br409

b:61.5
occ:1.00
 NH2 A:ARG89 3.1 40.7 1.0
NH1 A:ARG89 3.3 40.3 1.0
CD A:GLN68 3.5 34.2 1.0
NH2 A:ARG70 3.5 38.6 1.0
CG A:GLN68 3.6 29.9 1.0
CZ A:ARG89 3.7 38.4 1.0
OE1 A:GLN68 3.7 33.5 1.0
NE2 A:GLN68 4.0 41.4 1.0
CZ A:PHE91 4.4 26.4 1.0
CE1 A:PHE86 4.5 23.7 1.0
CB A:GLN68 4.6 25.4 1.0
CZ A:ARG70 4.8 35.8 1.0
CE1 A:PHE91 4.8 25.4 1.0
NE A:ARG89 5.0 36.8 1.0

Bromine binding site 10 out of 22 in 4p98

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Bromine binding site 10 out of 22 in the Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br410

b:43.1
occ:1.00
 O A:HOH661 3.3 44.5 1.0
N A:PHE170 3.4 14.4 1.0
CB A:PRO169 3.6 16.0 1.0
CD1 A:PHE170 3.7 19.1 1.0
CD A:PRO169 3.8 14.5 1.0
CG A:PRO169 3.9 15.6 1.0
CB A:PHE170 3.9 16.8 1.0
N A:PRO169 4.1 14.3 1.0
CA A:PRO169 4.2 14.9 1.0
C A:PRO169 4.2 13.8 1.0
CA A:PHE170 4.2 15.3 1.0
CG A:PHE170 4.3 17.5 1.0
CE2 A:PHE331 4.6 26.9 1.0
CE1 A:PHE170 4.7 18.7 1.0
C A:LEU168 5.0 14.0 1.0

Reference:

C.Chang, M.Endres, G.Joachimiak, A.Joachimiak. Abc Transporter System Solute-Bindng Protein From Conexibacter Woesei Dsm 14684 To Be Published.
Page generated: Wed Jul 10 22:15:45 2024

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