Bromine in PDB 1s2i: Purine 2'Deoxyribosyltransferase + Bromopurine

All present enzymatic activity of Purine 2'Deoxyribosyltransferase + Bromopurine:
2.4.2.6;

The structure of Purine 2'Deoxyribosyltransferase + Bromopurine, PDB code: 1s2i was solved by R.Anand, P.A.Kaminski, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.74 / 2.24
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.587, 79.587, 184.973, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 26.6

The binding sites of Bromine atom in the Purine 2'Deoxyribosyltransferase + Bromopurine (pdb code 1s2i). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Purine 2'Deoxyribosyltransferase + Bromopurine, PDB code: 1s2i:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Purine 2'Deoxyribosyltransferase + Bromopurine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Purine 2'Deoxyribosyltransferase + Bromopurine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1245 b:40.8 occ:1.00 BR A:BP11245 0.0 40.8 1.0 C6 A:BP11245 1.4 30.6 1.0 N1 A:BP11245 2.4 29.6 1.0 C5 A:BP11245 2.5 31.7 1.0 N7 A:BP11245 3.2 32.5 1.0 O A:HOH1255 3.4 76.4 1.0 O A:HOH1259 3.6 46.1 1.0 C2 A:BP11245 3.7 29.3 1.0 C4 A:BP11245 3.8 31.5 1.0 OH A:TYR17 4.2 21.2 1.0 CZ A:PHE45 4.3 45.2 1.0 N3 A:BP11245 4.3 29.9 1.0 C8 A:BP11245 4.4 32.7 1.0 OD2 A:ASP75 4.4 29.2 1.0 CE2 A:PHE45 4.5 45.2 1.0 N9 A:BP11245 4.7 32.6 1.0

Bromine binding site 2 out of 3 in the Purine 2'Deoxyribosyltransferase + Bromopurine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Purine 2'Deoxyribosyltransferase + Bromopurine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2245 b:40.8 occ:1.00 BR B:BP12245 0.0 40.8 1.0 C6 B:BP12245 1.4 30.6 1.0 N1 B:BP12245 2.5 29.6 1.0 C5 B:BP12245 2.5 31.7 1.0 N7 B:BP12245 3.2 32.5 1.0 OH B:TYR17 3.4 21.2 1.0 C2 B:BP12245 3.7 29.3 1.0 C4 B:BP12245 3.8 31.5 1.0 CZ B:PHE45 3.9 37.0 1.0 O B:HOH2247 4.1 46.0 1.0 CE1 B:PHE45 4.2 37.0 1.0 N3 B:BP12245 4.3 29.9 1.0 C8 B:BP12245 4.4 32.7 1.0 CZ B:TYR17 4.7 21.2 1.0 N9 B:BP12245 4.7 32.6 1.0 CE2 B:PHE45 5.0 37.0 1.0

Bromine binding site 3 out of 3 in the Purine 2'Deoxyribosyltransferase + Bromopurine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Purine 2'Deoxyribosyltransferase + Bromopurine within 5.0Å range: probe atom residue distance (Å) B Occ C:Br3245 b:40.8 occ:1.00 BR C:BP13245 0.0 40.8 1.0 C6 C:BP13245 1.4 30.6 1.0 N1 C:BP13245 2.4 29.6 1.0 C5 C:BP13245 2.5 31.7 1.0 N7 C:BP13245 3.1 32.5 1.0 C2 C:BP13245 3.7 29.3 1.0 C4 C:BP13245 3.7 31.5 1.0 CE2 C:PHE45 3.8 36.2 1.0 CH2 C:TRP67 4.0 48.0 1.0 CG2 C:THR71 4.1 35.1 1.0 CZ2 C:TRP67 4.1 48.0 1.0 CD2 C:PHE45 4.2 36.2 1.0 N3 C:BP13245 4.3 29.9 1.0 C8 C:BP13245 4.3 32.7 1.0 CZ C:PHE45 4.6 36.2 1.0 N9 C:BP13245 4.7 32.6 1.0

R.Anand, P.A.Kaminski, S.E.Ealick. Structures of Purine 2'-Deoxyribosyltransferase, Substrate Complexes, and the Ribosylated Enzyme Intermediate at 2.0 A Resolution. Biochemistry V. 43 2384 2004.
ISSN: ISSN 0006-2960
PubMed: 14992575
DOI: 10.1021/BI035723K