Bromine in PDB 6w46: Valine-Containing Collagen Peptide

The structure of Valine-Containing Collagen Peptide, PDB code: 6w46 was solved by D.M.Chenoweth, S.D.Melton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.24 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.300, 19.680, 40.810, 90.00, 93.26, 90.00
R / Rfree (%)	18.7 / 22.7

The binding sites of Bromine atom in the Valine-Containing Collagen Peptide (pdb code 6w46). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Valine-Containing Collagen Peptide, PDB code: 6w46:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Valine-Containing Collagen Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Valine-Containing Collagen Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br25 b:0.4 occ:1.00 BR A:4BF25 0.0 0.4 1.0 CZ A:4BF25 1.9 16.5 1.0 CE1 A:4BF25 2.8 67.8 1.0 CE2 A:4BF25 2.8 22.0 1.0 O C:HOH208 3.5 33.7 1.0 CD1 A:4BF25 4.1 87.6 1.0 CD2 A:4BF25 4.1 20.9 1.0 CG A:4BF25 4.7 24.6 1.0 O A:HOH215 4.8 21.7 1.0

Bromine binding site 2 out of 3 in the Valine-Containing Collagen Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Valine-Containing Collagen Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br25 b:0.6 occ:1.00 BR B:4BF25 0.0 0.6 1.0 CZ B:4BF25 1.9 0.5 1.0 CE2 B:4BF25 2.8 79.2 1.0 CE1 B:4BF25 2.8 34.9 1.0 CD2 B:4BF25 4.1 98.6 1.0 CD1 B:4BF25 4.1 20.5 1.0 CG B:4BF25 4.6 61.0 1.0

Bromine binding site 3 out of 3 in the Valine-Containing Collagen Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Valine-Containing Collagen Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Br25 b:0.7 occ:1.00 BR C:4BF25 0.0 0.7 1.0 CZ C:4BF25 1.9 24.0 1.0 CE2 C:4BF25 2.8 16.0 1.0 CE1 C:4BF25 2.8 83.0 1.0 CD2 C:4BF25 4.1 18.7 1.0 CD1 C:4BF25 4.1 16.6 1.0 CG C:4BF25 4.7 12.1 1.0 O C:HOH242 5.0 15.1 1.0

S.D.Melton, E.A.E.Brackhahn, S.J.Orlin, P.Jin, D.M.Chenoweth. Rules For the Design of Aza-Glycine Stabilized Triple-Helical Collagen Peptides Chem Sci 2020.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC03003A