Bromine in PDB 3r47: Crystal Structure of A 6-Helix Coiled Coil Cc-Hex-H24

The structure of Crystal Structure of A 6-Helix Coiled Coil Cc-Hex-H24, PDB code: 3r47 was solved by N.R.Zaccai, B.H.C.Chi, D.N.Woolfson, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.51 / 2.50
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	55.804, 55.804, 139.875, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 28.5

The binding sites of Bromine atom in the Crystal Structure of A 6-Helix Coiled Coil Cc-Hex-H24 (pdb code 3r47). 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 A 6-Helix Coiled Coil Cc-Hex-H24, PDB code: 3r47:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A 6-Helix Coiled Coil Cc-Hex-H24


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 A 6-Helix Coiled Coil Cc-Hex-H24 within 5.0Å range: probe atom residue distance (Å) B Occ E:Br34 b:0.8 occ:1.00 NE2 E:HIS24 3.5 64.9 1.0 NE2 F:HIS24 3.7 50.2 1.0 CE1 E:HIS24 3.8 71.6 1.0 NE2 C:HIS24 4.0 63.4 1.0 CE1 A:HIS24 4.1 62.1 1.0 O F:HOH35 4.1 40.0 1.0 CE1 F:HIS24 4.2 63.3 1.0 O E:HOH129 4.2 23.1 1.0 NE2 A:HIS24 4.3 59.3 1.0 CE1 C:HIS24 4.4 62.7 1.0 NE2 B:HIS24 4.6 71.4 1.0 CG2 E:ILE20 4.7 26.3 1.0 CG2 F:ILE20 4.7 16.1 1.0 CD2 E:HIS24 4.7 57.0 1.0 CD2 F:HIS24 4.8 40.3 1.0 CE1 B:HIS24 4.8 70.8 1.0 NE2 G:HIS24 4.9 54.2 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A 6-Helix Coiled Coil Cc-Hex-H24


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 A 6-Helix Coiled Coil Cc-Hex-H24 within 5.0Å range: probe atom residue distance (Å) B Occ K:Br34 b:0.3 occ:1.00 NE2 K:HIS24 3.9 68.8 1.0 O J:HOH116 4.0 45.0 1.0 NE2 L:HIS24 4.1 66.5 1.0 NE2 H:HIS24 4.1 63.8 1.0 O K:HOH132 4.1 29.9 1.0 NE2 J:HIS24 4.2 71.2 1.0 CE1 H:HIS24 4.4 72.9 1.0 NE2 I:HIS24 4.6 70.0 1.0 CG2 L:ILE20 4.6 16.4 1.0 CE1 K:HIS24 4.6 70.0 1.0 CG2 J:ILE20 4.8 25.1 1.0 CD2 K:HIS24 4.9 67.4 1.0 CD2 L:HIS24 4.9 52.0 1.0 CE1 L:HIS24 5.0 68.5 1.0 CE1 J:HIS24 5.0 67.5 1.0 CG2 K:ILE20 5.0 31.6 1.0

N.R.Zaccai, B.Chi, A.R.Thomson, A.L.Boyle, G.J.Bartlett, M.Bruning, N.Linden, R.B.Sessions, P.J.Booth, R.L.Brady, D.N.Woolfson. A De Novo Peptide Hexamer with A Mutable Channel. Nat.Chem.Biol. V. 7 935 2011.
ISSN: ISSN 1552-4450
PubMed: 22037471
DOI: 10.1038/NCHEMBIO.692