Bromine in PDB 1ih2: Crystal Structure of GGBR5CGBR5CC

The structure of Crystal Structure of GGBR5CGBR5CC, PDB code: 1ih2 was solved by J.M.Vargason, K.Henderson, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.672, 60.672, 24.612, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.7

The binding sites of Bromine atom in the Crystal Structure of GGBR5CGBR5CC (pdb code 1ih2). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of GGBR5CGBR5CC, PDB code: 1ih2:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of GGBR5CGBR5CC


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 GGBR5CGBR5CC within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:94.3 occ:1.00 BR A:CBR3 0.0 94.3 1.0 C5 A:CBR3 1.8 84.8 1.0 O A:HOH13 2.7 24.0 1.0 C6 A:CBR3 2.8 83.0 1.0 C4 A:CBR3 2.8 83.5 1.0 N4 A:CBR3 3.0 82.5 1.0 N7 A:DG2 3.2 76.7 1.0 C8 A:DG2 3.5 78.2 1.0 C5 A:DG2 3.7 76.3 1.0 N1 A:CBR3 4.0 79.9 1.0 N3 A:CBR3 4.1 81.1 1.0 N9 A:DG2 4.1 79.0 1.0 C4 A:DG2 4.2 77.0 1.0 C6 A:DG2 4.3 75.7 1.0 OP2 A:CBR3 4.3 74.0 1.0 O6 A:DG2 4.5 75.4 1.0 C2 A:CBR3 4.6 80.2 1.0 OP2 A:DG2 4.8 82.7 1.0 C3' A:DG2 4.8 78.9 1.0 C2' A:DG2 4.9 80.4 1.0 O5' A:DG2 4.9 82.6 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of GGBR5CGBR5CC


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 GGBR5CGBR5CC within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:69.0 occ:1.00 BR A:CBR5 0.0 69.0 1.0 C5 A:CBR5 1.8 62.8 1.0 C6 A:CBR5 2.8 63.6 1.0 C4 A:CBR5 2.8 63.0 1.0 N4 A:CBR5 3.0 62.0 1.0 C4 A:DG4 3.7 48.6 1.0 N9 A:DG4 3.7 49.4 1.0 C5 A:DG4 3.7 48.6 1.0 C8 A:DG4 3.8 48.8 1.0 N7 A:DG4 3.8 49.2 1.0 C2' A:DG4 3.9 52.8 1.0 OP2 A:CBR5 4.0 63.6 1.0 N3 A:CBR5 4.1 63.5 1.0 N1 A:CBR5 4.1 65.0 1.0 C3' A:DG4 4.1 56.3 1.0 N3 A:DG4 4.2 47.9 1.0 C1' A:DG4 4.3 51.4 1.0 C6 A:DG4 4.4 48.5 1.0 O5' A:CBR5 4.4 61.0 1.0 C2 A:CBR5 4.6 64.5 1.0 C2 A:DG4 4.7 48.1 1.0 P A:CBR5 4.7 62.2 1.0 N1 A:DG4 4.7 48.3 1.0 C5 A:DC6 4.9 51.1 1.0 O3' A:DG4 5.0 60.2 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of GGBR5CGBR5CC


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 GGBR5CGBR5CC within 5.0Å range: probe atom residue distance (Å) B Occ B:Br9 b:68.0 occ:1.00 BR B:CBR9 0.0 68.0 1.0 C5 B:CBR9 1.8 58.0 1.0 C6 B:CBR9 2.8 57.3 1.0 C4 B:CBR9 2.8 57.0 1.0 N4 B:CBR9 3.0 55.9 1.0 N7 B:DG8 3.6 52.8 1.0 C8 B:DG8 4.0 53.4 1.0 N3 B:CBR9 4.1 55.8 1.0 N1 B:CBR9 4.1 56.7 1.0 C5 B:DG8 4.1 51.8 1.0 OP2 B:CBR9 4.3 64.7 1.0 C2 B:CBR9 4.6 56.5 1.0 C6 B:DG8 4.6 51.0 1.0 N9 B:DG8 4.6 54.2 1.0 C4 B:DG8 4.7 52.6 1.0 O6 B:DG8 4.8 50.6 1.0 OP2 B:DG8 4.8 65.5 1.0 O5' B:CBR9 4.9 64.3 1.0 O5' B:DG8 5.0 66.7 1.0 C3' B:DG8 5.0 63.5 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of GGBR5CGBR5CC


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 GGBR5CGBR5CC within 5.0Å range: probe atom residue distance (Å) B Occ B:Br11 b:43.6 occ:1.00 BR B:CBR11 0.0 43.6 1.0 C5 B:CBR11 1.8 40.1 1.0 C4 B:CBR11 2.8 40.4 1.0 C6 B:CBR11 2.8 39.2 1.0 N4 B:CBR11 3.0 39.3 1.0 C8 B:DG10 3.6 41.0 1.0 N7 B:DG10 3.6 40.6 1.0 C5 B:DG10 3.7 41.1 1.0 N9 B:DG10 3.7 41.3 1.0 C4 B:DG10 3.8 41.2 1.0 C2' B:DG10 3.8 40.0 1.0 OP2 B:CBR11 3.9 35.7 1.0 C3' B:DG10 4.0 40.0 1.0 N3 B:CBR11 4.1 40.4 1.0 N1 B:CBR11 4.1 37.7 1.0 C6 B:DG10 4.3 41.3 1.0 O5' B:CBR11 4.3 34.6 1.0 C1' B:DG10 4.4 41.3 1.0 N3 B:DG10 4.5 41.3 1.0 C2 B:CBR11 4.6 39.0 1.0 P B:CBR11 4.6 35.4 1.0 N4 B:DC12 4.7 37.4 1.0 O3' B:DG10 4.8 37.8 1.0 O6 B:DG10 4.9 43.3 1.0 N1 B:DG10 4.9 40.5 1.0 C2 B:DG10 5.0 40.8 1.0 O4' B:DG10 5.0 42.9 1.0

J.M.Vargason, K.Henderson, P.S.Ho. A Crystallographic Map of the Transition From B-Dna to A-Dna. Proc.Natl.Acad.Sci.Usa V. 98 7265 2001.
ISSN: ISSN 0027-8424
PubMed: 11390969
DOI: 10.1073/PNAS.121176898