Bromine in PDB 3rwr: Crystal Structure of the Human XRCC4-Xlf Complex

The structure of Crystal Structure of the Human XRCC4-Xlf Complex, PDB code: 3rwr was solved by S.N.Andres, M.S.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.03 / 3.94
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	745.379, 149.585, 80.475, 90.00, 94.72, 90.00
R / Rfree (%)	27.1 / 32.6

The structure of Crystal Structure of the Human XRCC4-Xlf Complex also contains other interesting chemical elements:

Tantalum

(Ta)

48 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 96;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Human XRCC4-Xlf Complex (pdb code 3rwr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 96 binding sites of Bromine where determined in the Crystal Structure of the Human XRCC4-Xlf Complex, PDB code: 3rwr:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


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 the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.0 occ:0.16 BR1 D:TBR231 0.0 0.0 0.2 TA2 D:TBR231 2.6 0.3 0.2 TA1 D:TBR231 2.6 0.9 0.2 BR2 D:TBR231 3.6 0.4 0.2 BR5 D:TBR231 3.6 0.3 0.2 BRC D:TBR231 3.6 0.5 0.2 BR4 D:TBR231 3.7 0.6 0.2 TA3 D:TBR231 4.2 0.4 0.2 TA6 D:TBR231 4.2 0.8 0.2

Bromine binding site 2 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


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 the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.4 occ:0.16 BR2 D:TBR231 0.0 0.4 0.2 TA1 D:TBR231 2.6 0.9 0.2 TA3 D:TBR231 2.6 0.4 0.2 BR1 D:TBR231 3.6 0.0 0.2 BR3 D:TBR231 3.6 0.8 0.2 BR6 D:TBR231 3.6 0.6 0.2 BR5 D:TBR231 3.6 0.3 0.2 TA2 D:TBR231 4.2 0.3 0.2 TA5 D:TBR231 4.2 1.0 0.2 CD2 D:HIS122 4.4 0.4 1.0 NE2 D:HIS122 4.6 0.1 1.0 CD1 D:ILE105 4.9 0.4 1.0

Bromine binding site 3 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


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 the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.8 occ:0.16 BR3 D:TBR231 0.0 0.8 0.2 TA1 D:TBR231 2.6 0.9 0.2 TA5 D:TBR231 2.6 1.0 0.2 BR6 D:TBR231 3.6 0.6 0.2 BR4 D:TBR231 3.6 0.6 0.2 BRB D:TBR231 3.6 0.8 0.2 BR2 D:TBR231 3.6 0.4 0.2 CD2 D:HIS122 4.0 0.4 1.0 TA3 D:TBR231 4.2 0.4 0.2 TA6 D:TBR231 4.2 0.8 0.2 NE2 D:HIS122 4.6 0.1 1.0

Bromine binding site 4 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


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 the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.6 occ:0.16 BR4 D:TBR231 0.0 0.6 0.2 TA6 D:TBR231 2.6 0.8 0.2 TA1 D:TBR231 2.6 0.9 0.2 BR3 D:TBR231 3.6 0.8 0.2 BRB D:TBR231 3.6 0.8 0.2 BRC D:TBR231 3.7 0.5 0.2 BR1 D:TBR231 3.7 0.0 0.2 TA5 D:TBR231 4.2 1.0 0.2 TA2 D:TBR231 4.2 0.3 0.2

Bromine binding site 5 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


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 the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.3 occ:0.16 BR5 D:TBR231 0.0 0.3 0.2 TA2 D:TBR231 2.6 0.3 0.2 TA3 D:TBR231 2.6 0.4 0.2 BR1 D:TBR231 3.6 0.0 0.2 BRA D:TBR231 3.6 0.5 0.2 BR9 D:TBR231 3.6 0.4 0.2 BR2 D:TBR231 3.6 0.4 0.2 TA4 D:TBR231 4.2 0.9 0.2 TA1 D:TBR231 4.2 0.9 0.2

Bromine binding site 6 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


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 the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.6 occ:0.16 BR6 D:TBR231 0.0 0.6 0.2 NE2 D:HIS122 1.7 0.1 1.0 CD2 D:HIS122 2.3 0.4 1.0 TA5 D:TBR231 2.6 1.0 0.2 TA3 D:TBR231 2.6 0.4 0.2 CE1 D:HIS122 2.9 0.2 1.0 BR3 D:TBR231 3.6 0.8 0.2 CG D:HIS122 3.6 0.9 1.0 BR7 D:TBR231 3.6 0.8 0.2 BR2 D:TBR231 3.6 0.4 0.2 BRA D:TBR231 3.7 0.5 0.2 ND1 D:HIS122 3.8 0.6 1.0 TA1 D:TBR231 4.1 0.9 0.2 TA4 D:TBR231 4.2 0.9 0.2 CB D:HIS122 4.9 0.7 1.0

Bromine binding site 7 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.8 occ:0.16 BR7 D:TBR231 0.0 0.8 0.2 TA5 D:TBR231 2.6 1.0 0.2 TA4 D:TBR231 2.6 0.9 0.2 BR8 D:TBR231 3.6 0.9 0.2 BRB D:TBR231 3.6 0.8 0.2 BR6 D:TBR231 3.6 0.6 0.2 BRA D:TBR231 3.7 0.5 0.2 OE1 D:GLU60 4.0 0.7 1.0 TA6 D:TBR231 4.2 0.8 0.2 TA3 D:TBR231 4.2 0.4 0.2 NE2 D:HIS122 4.8 0.1 1.0

Bromine binding site 8 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.9 occ:0.16 BR8 D:TBR231 0.0 0.9 0.2 TA4 D:TBR231 2.6 0.9 0.2 TA6 D:TBR231 2.6 0.8 0.2 BR7 D:TBR231 3.6 0.8 0.2 BR9 D:TBR231 3.6 0.4 0.2 BRC D:TBR231 3.6 0.5 0.2 BRB D:TBR231 3.6 0.8 0.2 TA5 D:TBR231 4.2 1.0 0.2 TA2 D:TBR231 4.2 0.3 0.2

Bromine binding site 9 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.4 occ:0.16 BR9 D:TBR231 0.0 0.4 0.2 TA4 D:TBR231 2.6 0.9 0.2 TA2 D:TBR231 2.6 0.3 0.2 BRC D:TBR231 3.6 0.5 0.2 BRA D:TBR231 3.6 0.5 0.2 BR5 D:TBR231 3.6 0.3 0.2 BR8 D:TBR231 3.6 0.9 0.2 TA3 D:TBR231 4.2 0.4 0.2 TA6 D:TBR231 4.2 0.8 0.2

Bromine binding site 10 out of 96 in the Crystal Structure of the Human XRCC4-Xlf Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of the Human XRCC4-Xlf Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br231 b:0.5 occ:0.16 BRA D:TBR231 0.0 0.5 0.2 TA3 D:TBR231 2.6 0.4 0.2 TA4 D:TBR231 2.6 0.9 0.2 BR9 D:TBR231 3.6 0.4 0.2 BR5 D:TBR231 3.6 0.3 0.2 BR6 D:TBR231 3.7 0.6 0.2 BR7 D:TBR231 3.7 0.8 0.2 TA2 D:TBR231 4.2 0.3 0.2 TA5 D:TBR231 4.2 1.0 0.2 NE2 D:HIS122 4.8 0.1 1.0

N.S.Andres, C.Wyman, M.Modesti, M.S.Junop. Structure of Human Xlf-XRCC4: Assembly of A Functional Dna Repair Complex To Be Published.