Bromine in PDB 8cxf: Crystal Structure of An I-Motif From the Hras Promoter Region

The structure of Crystal Structure of An I-Motif From the Hras Promoter Region, PDB code: 8cxf was solved by L.A.Yatsunyk, K.S.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.01 / 1.77
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.392, 31.271, 54.279, 90, 92.93, 90
R / Rfree (%)	22.1 / 23.7

The binding sites of Bromine atom in the Crystal Structure of An I-Motif From the Hras Promoter Region (pdb code 8cxf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of An I-Motif From the Hras Promoter Region, PDB code: 8cxf:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of An I-Motif From the Hras Promoter Region


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 An I-Motif From the Hras Promoter Region within 5.0Å range: probe atom residue distance (Å) B Occ B:Br4 b:50.8 occ:0.49 BR B:CBR4 0.0 50.8 0.5 C5 B:CBR4 1.9 52.6 1.0 C6 B:CBR4 2.9 56.1 1.0 C4 B:CBR4 2.9 51.2 1.0 N4 B:CBR4 3.1 47.7 1.0 O B:HOH220 3.1 71.5 1.0 O A:HOH101 3.5 53.7 1.0 O B:HOH218 3.5 48.4 1.0 O A:HOH104 3.8 53.5 1.0 N4 A:DC24 4.0 48.8 1.0 N1 B:CBR4 4.1 52.9 1.0 OP2 B:CBR4 4.2 62.3 1.0 N3 B:CBR4 4.2 49.2 1.0 N4 A:DC23 4.2 50.1 1.0 C5 A:DC23 4.2 51.0 1.0 C4 A:DC23 4.5 48.7 1.0 C2 B:CBR4 4.7 52.8 1.0 C4 A:DC24 4.7 46.6 1.0 C5 A:DC24 4.9 47.0 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of An I-Motif From the Hras Promoter Region


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 An I-Motif From the Hras Promoter Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:52.0 occ:0.51 BR A:CBR4 0.0 52.0 0.5 C5 A:CBR4 1.9 47.8 1.0 C6 A:CBR4 2.9 49.9 1.0 C4 A:CBR4 2.9 48.8 1.0 N4 A:CBR4 3.1 45.5 1.0 O B:HOH221 3.4 58.9 1.0 O B:HOH237 3.4 52.7 1.0 O B:HOH206 3.5 55.7 1.0 O A:HOH119 3.6 46.6 1.0 O B:HOH207 3.9 51.9 1.0 N4 B:DC24 4.1 45.7 1.0 OP2 A:CBR4 4.1 65.3 1.0 N1 A:CBR4 4.1 48.3 1.0 N3 A:CBR4 4.2 49.2 1.0 C5 B:DC23 4.2 48.5 1.0 N4 B:DC23 4.2 49.7 1.0 C4 B:DC23 4.5 45.7 1.0 C2 A:CBR4 4.7 49.3 1.0 C4 B:DC24 4.8 43.4 1.0 O5' A:CBR4 5.0 66.8 1.0

K.S.Li, D.Jordan, L.Y.Lin, S.E.Mccarthy, J.S.Schneekloth Jr., L.A.Yatsunyk. Crystal Structure of An I-Motif From the Hras Oncogene Promoter. Angew.Chem.Int.Ed.Engl. 01666 2023.
ISSN: ESSN 1521-3773
PubMed: 36995904
DOI: 10.1002/ANIE.202301666