Bromine in PDB 1lww: Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine

The structure of Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine, PDB code: 1lww was solved by J.C.Fromme, S.D.Bruner, W.Yang, M.Karplus, G.L.Verdine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.174, 92.174, 211.887, 90.00, 90.00, 120.00
R / Rfree (%)	23.6 / 25.7

The structure of Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Bromine atom in the Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine (pdb code 1lww). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine, PDB code: 1lww:

Bromine binding site 1 out of 1 in the Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Borohydride-Trapped HOGG1 Intermediate Structure Co- Crystallized with 8-Bromoguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br328 b:58.5 occ:1.00 BR A:BRG328 0.0 58.5 1.0 C8 A:BRG328 1.9 44.0 1.0 N7 A:BRG328 2.9 39.8 1.0 N9 A:BRG328 2.9 41.6 1.0 CZ A:PHE45 3.6 16.4 1.0 OG A:SER147 3.7 33.6 1.0 CD1 A:ILE155 3.8 25.2 1.0 CG1 A:ILE152 4.0 22.6 1.0 C5 A:BRG328 4.0 36.4 1.0 CE2 A:PHE45 4.0 17.3 1.0 CB A:SER147 4.1 27.9 1.0 O A:GLY42 4.1 19.2 1.0 C4 A:BRG328 4.1 37.0 1.0 C2' E:PED23 4.1 28.3 1.0 CE2 A:PHE144 4.3 22.2 1.0 C5' E:PED23 4.5 22.5 1.0 CA A:GLY42 4.5 17.6 1.0 CD1 A:ILE152 4.6 23.3 1.0 C1' E:PED23 4.7 26.5 1.0 CD2 A:PHE144 4.7 21.5 1.0 CE1 A:PHE45 4.7 16.0 1.0 C A:GLY42 4.8 18.4 1.0 NZ A:LYS249 4.8 28.4 1.0 O4' E:PED23 5.0 24.1 1.0

J.C.Fromme, S.D.Bruner, W.Yang, M.Karplus, G.L.Verdine. Product-Assisted Catalysis in Base Excision Dna Repair Nat.Struct.Biol. V. 10 204 2003.
ISSN: ISSN 1072-8368
PubMed: 12592398
DOI: 10.1038/NSB902