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Bromine in PDB 4qko: The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms

Protein crystallography data

The structure of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms, PDB code: 4qko was solved by R.Grinter, I.Josts, A.W.Roszak, C.J.Cogdell, D.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.88 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.390, 114.420, 120.220, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 21.5

Other elements in 4qko:

The structure of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 35;

Binding sites:

The binding sites of Bromine atom in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms (pdb code 4qko). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 35 binding sites of Bromine where determined in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms, PDB code: 4qko:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 35 in 4qko

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Bromine binding site 1 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br101

b:37.5
occ:0.50
 O A:HOH254 2.9 35.7 1.0
N A:ALA66 3.1 21.9 1.0
CB A:ALA66 3.6 24.0 1.0
CD A:PRO65 3.6 22.5 1.0
CB A:PRO65 3.8 22.7 1.0
N A:PRO65 3.8 21.4 1.0
CG A:PRO65 3.9 23.8 1.0
CB A:SER64 3.9 21.9 1.0
CA A:ALA66 3.9 22.0 1.0
C A:PRO65 4.0 21.7 1.0
OG A:SER64 4.0 20.7 1.0
CA A:PRO65 4.1 20.5 1.0
NZ A:LYS18 4.4 60.2 1.0
C A:SER64 4.5 20.6 1.0
CD1 A:LEU14 4.7 26.7 1.0
CA A:SER64 4.8 21.1 1.0

Bromine binding site 2 out of 35 in 4qko

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Bromine binding site 2 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br102

b:47.0
occ:0.50
 O A:HOH223 3.0 29.1 1.0
N A:LYS11 3.1 28.7 1.0
N A:GLU10 3.6 28.1 1.0
CB A:LYS11 3.7 38.1 1.0
CB A:THR9 3.7 30.6 1.0
CB A:GLU10 3.8 31.0 1.0
CA A:GLU10 4.0 28.8 1.0
OG1 A:THR9 4.0 29.8 1.0
C A:GLU10 4.0 29.9 1.0
CA A:LYS11 4.0 30.8 1.0
O A:HOH274 4.3 64.2 1.0
C A:THR9 4.3 28.2 1.0
O A:HOH267 4.3 45.7 1.0
CA A:GLY87 4.4 55.7 1.0
CA A:THR9 4.5 29.9 1.0
N A:GLY87 4.6 51.2 1.0
CG2 A:THR9 4.7 32.8 1.0
O A:HOH224 4.8 35.1 1.0
CG A:GLU10 5.0 30.8 1.0

Bromine binding site 3 out of 35 in 4qko

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Bromine binding site 3 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br103

b:44.9
occ:0.50
 O A:HOH204 3.0 22.5 1.0
N A:PHE84 3.2 28.4 1.0
CA A:GLY83 3.5 25.6 1.0
O A:HOH266 3.6 35.1 1.0
CD2 A:PHE84 3.7 30.7 1.0
CE A:LYS73 3.8 35.5 1.0
O A:HOH221 3.8 35.8 1.0
C A:GLY83 3.8 27.4 1.0
CG A:LYS73 4.0 27.3 1.0
CB A:PHE84 4.1 29.2 1.0
CG A:PHE84 4.2 29.1 1.0
CA A:PHE84 4.2 27.9 1.0
CD A:LYS73 4.4 28.7 1.0
O A:HOH207 4.5 25.2 1.0
CE2 A:PHE84 4.5 30.0 1.0
O A:PHE84 4.5 28.4 1.0
N A:GLY83 4.8 25.3 1.0
C A:PHE84 4.9 31.1 1.0
O A:HOH231 4.9 45.3 1.0
NZ A:LYS73 5.0 39.2 1.0
CB A:LYS73 5.0 23.1 1.0

Bromine binding site 4 out of 35 in 4qko

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Bromine binding site 4 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br701

b:27.2
occ:1.00
 O B:HOH806 3.3 18.2 1.0
O B:HOH880 3.4 40.6 1.0
N B:ILE655 3.4 19.5 1.0
NE1 B:TRP604 3.6 28.5 1.0
CD B:ARG608 3.7 26.7 1.0
NE B:ARG608 3.8 29.0 1.0
CB B:ILE655 4.0 22.5 1.0
NH2 B:ARG559 4.0 50.9 1.0
O B:ILE655 4.1 22.7 1.0
CA B:GLU654 4.2 20.5 1.0
CA B:ILE655 4.2 19.9 1.0
O B:HOH844 4.2 24.3 1.0
CG B:ARG608 4.3 23.8 1.0
C B:GLU654 4.3 19.7 1.0
NH2 B:ARG605 4.4 35.4 0.5
CG1 B:ILE655 4.4 24.4 1.0
CE2 B:TRP604 4.4 27.1 1.0
CZ2 B:TRP604 4.6 23.8 1.0
CD1 B:TRP604 4.6 29.8 1.0
C B:ILE655 4.6 23.9 1.0
NH1 B:ARG559 4.7 50.1 1.0
CB B:GLU654 4.7 22.6 1.0
CZ B:ARG559 4.8 52.3 1.0
O B:ILE653 4.8 19.0 1.0
CD1 B:ILE655 4.8 26.4 1.0
CB B:ARG608 5.0 22.8 1.0

Bromine binding site 5 out of 35 in 4qko

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Bromine binding site 5 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br702

b:30.9
occ:1.00
 O A:HOH279 3.2 38.9 1.0
O B:HOH846 3.3 31.2 1.0
N B:ARG642 3.5 16.2 1.0
CB B:VAL641 3.8 17.8 1.0
CG B:ARG642 3.8 24.6 1.0
CB B:ARG642 3.9 20.4 1.0
CD B:ARG642 3.9 30.3 1.0
CG B:GLU645 4.0 22.7 1.0
CA B:VAL641 4.0 15.7 1.0
CG2 B:THR677 4.1 20.1 1.0
CB B:GLU645 4.2 19.9 1.0
CG1 B:VAL641 4.2 19.0 1.0
C B:VAL641 4.3 15.2 1.0
CA B:ARG642 4.3 17.5 1.0
OH A:TYR56 4.4 15.7 1.0
NE B:ARG642 4.6 32.5 1.0
CZ A:TYR56 4.8 16.6 1.0

Bromine binding site 6 out of 35 in 4qko

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Bromine binding site 6 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br703

b:36.0
occ:0.50
 N B:VAL667 3.3 25.4 1.0
CA B:GLY666 3.5 26.2 1.0
O B:HOH862 3.9 33.9 1.0
C B:GLY666 4.0 23.6 1.0
O B:GLY665 4.0 24.0 1.0
CG2 B:VAL667 4.1 29.5 1.0
CB B:VAL667 4.4 26.7 1.0
CA B:VAL667 4.4 24.7 1.0
N B:GLY666 4.6 25.9 1.0
C B:GLY665 4.7 24.9 1.0

Bromine binding site 7 out of 35 in 4qko

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Bromine binding site 7 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br101

b:34.0
occ:0.50
 O C:HOH271 2.8 50.9 1.0
N C:ALA66 3.3 20.8 1.0
CB C:ALA66 3.5 23.5 1.0
CD C:PRO65 3.7 20.5 1.0
CB C:SER64 3.9 22.6 1.0
N C:PRO65 3.9 20.4 1.0
CB C:PRO65 3.9 20.6 1.0
OG C:SER64 4.0 20.5 1.0
CA C:ALA66 4.0 21.5 1.0
CG C:PRO65 4.2 21.5 1.0
C C:PRO65 4.2 19.5 1.0
CA C:PRO65 4.2 19.3 1.0
NZ C:LYS18 4.4 43.9 1.0
C C:SER64 4.6 20.7 1.0
CA C:SER64 4.8 20.9 1.0
O C:HOH272 5.0 43.7 1.0
OE2 C:GLU62 5.0 35.0 1.0

Bromine binding site 8 out of 35 in 4qko

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Bromine binding site 8 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br102

b:49.9
occ:0.50
 N C:LYS11 3.3 30.7 1.0
O C:HOH214 3.4 32.6 1.0
CB C:LYS11 3.6 34.4 1.0
N C:GLU10 3.8 27.9 1.0
CB C:THR9 3.9 29.1 1.0
CA C:LYS11 4.1 29.9 1.0
OG1 C:THR9 4.2 31.4 1.0
CB C:GLU10 4.2 31.5 1.0
C C:GLU10 4.3 30.5 1.0
CA C:GLU10 4.3 30.1 1.0
CA C:GLY87 4.5 55.4 1.0
C C:THR9 4.5 27.5 1.0
O C:HOH268 4.6 35.4 1.0
CA C:THR9 4.7 28.1 1.0
N C:GLY87 4.8 47.9 1.0
CG2 C:THR9 4.8 30.2 1.0
CG C:LYS11 5.0 41.3 1.0

Bromine binding site 9 out of 35 in 4qko

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Bromine binding site 9 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br103

b:50.3
occ:0.50
 O C:HOH226 3.2 28.2 1.0
N C:PHE84 3.3 28.0 1.0
CA C:GLY83 3.6 32.9 1.0
CD2 C:PHE84 3.7 24.8 1.0
CE C:LYS73 3.7 29.6 1.0
CG C:LYS73 3.9 25.9 1.0
C C:GLY83 3.9 30.0 1.0
CB C:PHE84 4.1 26.6 1.0
CD C:LYS73 4.2 28.1 1.0
O C:HOH231 4.2 32.5 1.0
CG C:PHE84 4.2 26.3 1.0
CA C:PHE84 4.2 27.9 1.0
O C:HOH233 4.4 38.1 1.0
O C:PHE84 4.5 30.3 1.0
O C:HOH223 4.6 29.1 1.0
CE2 C:PHE84 4.6 27.5 1.0
NZ C:LYS73 4.8 30.5 1.0
N C:GLY83 4.8 32.3 1.0
C C:PHE84 4.9 30.2 1.0

Bromine binding site 10 out of 35 in 4qko

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Bromine binding site 10 out of 35 in the The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br701

b:20.9
occ:1.00
 O D:HOH810 3.3 16.4 1.0
N D:ILE655 3.4 16.1 1.0
NE1 D:TRP604 3.5 18.1 1.0
O D:HOH871 3.7 35.0 1.0
NH1 D:ARG559 3.7 24.6 1.0
CD D:ARG608 3.9 24.4 1.0
NE D:ARG608 3.9 29.6 1.0
CB D:ILE655 4.0 16.9 1.0
NH2 D:ARG559 4.0 23.4 1.0
CA D:GLU654 4.2 16.3 1.0
CZ D:ARG559 4.2 22.5 1.0
CA D:ILE655 4.2 16.4 1.0
CG1 D:ILE655 4.3 19.0 1.0
O D:HOH805 4.3 22.9 1.0
C D:GLU654 4.3 16.2 1.0
CE2 D:TRP604 4.4 17.4 1.0
O D:ILE655 4.4 19.8 1.0
CD1 D:ILE655 4.4 21.0 1.0
CZ2 D:TRP604 4.4 16.7 1.0
CD1 D:TRP604 4.5 17.9 1.0
CG D:ARG608 4.7 21.6 1.0
CB D:GLU654 4.8 17.7 1.0
C D:ILE655 4.8 17.4 1.0
O D:ILE653 4.8 13.8 1.0

Reference:

R.Grinter, I.Josts, L.C.Mccaughey, A.W.Roszak, K.I.Walen, S.Kelly, O.Byron, D.Walker. Structural Insights Into Pyocin S2 To Be Published.
Page generated: Sat Dec 12 02:22:37 2020

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