Bromine in PDB 3a3k: Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain

All present enzymatic activity of Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain:
4.6.1.2;

The structure of Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain, PDB code: 3a3k was solved by H.Ogawa, Y.Qiu, C.M.Ogata, K.S.Misono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	120.521, 120.521, 160.613, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.3

The binding sites of Bromine atom in the Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain (pdb code 3a3k). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain, PDB code: 3a3k:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br600 b:21.1 occ:1.00 N A:GLY85 3.2 13.4 1.0 OG A:SER53 3.3 18.2 1.0 N A:CYS86 3.4 15.9 1.0 NE1 A:TRP18 3.6 8.7 1.0 CB A:PRO84 3.7 12.8 1.0 CD1 A:TRP18 3.7 8.7 1.0 CD A:PRO10 3.7 13.9 1.0 CB A:SER53 3.8 18.2 1.0 CG A:PRO10 3.9 14.0 1.0 CA A:GLY85 3.9 14.1 1.0 CA A:PRO84 4.0 12.9 1.0 C A:PRO84 4.0 13.2 1.0 SG A:CYS86 4.1 23.4 1.0 CB A:CYS60 4.1 18.5 1.0 CB A:CYS86 4.1 17.7 1.0 C A:GLY85 4.2 14.8 1.0 CA A:LEU9 4.2 13.0 1.0 CD2 A:LEU9 4.2 8.9 1.0 CB A:SER89 4.2 16.0 1.0 N A:PRO10 4.3 14.1 1.0 OG A:SER89 4.3 16.1 1.0 O A:VAL8 4.4 12.8 1.0 CA A:CYS86 4.4 17.6 1.0 C A:LEU9 4.5 13.8 1.0 CE2 A:TRP18 4.8 9.8 1.0 SG A:CYS60 4.9 23.3 1.0 CG A:TRP18 4.9 10.0 1.0

Bromine binding site 2 out of 2 in the Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:25.9 occ:1.00 OG B:SER53 3.1 19.9 1.0 N B:GLY85 3.3 18.6 1.0 N B:CYS86 3.4 20.5 1.0 NE1 B:TRP18 3.6 16.9 1.0 CD B:PRO10 3.6 14.4 1.0 CB B:SER53 3.7 20.5 1.0 CB B:PRO84 3.7 17.8 1.0 CD1 B:TRP18 3.7 16.4 1.0 CA B:PRO84 3.9 17.9 1.0 CG B:PRO10 4.0 14.3 1.0 CB B:CYS86 4.0 21.7 1.0 CA B:GLY85 4.1 19.1 1.0 C B:PRO84 4.1 18.2 1.0 CA B:LEU9 4.1 14.0 1.0 CB B:CYS60 4.1 24.8 1.0 SG B:CYS86 4.3 26.3 1.0 CD2 B:LEU9 4.3 11.0 1.0 C B:GLY85 4.3 19.8 1.0 CB B:SER89 4.3 19.4 1.0 N B:PRO10 4.3 14.6 1.0 CA B:CYS86 4.3 21.6 1.0 OG B:SER89 4.4 19.4 1.0 O B:VAL8 4.4 14.0 1.0 C B:LEU9 4.5 14.2 1.0 CE2 B:TRP18 4.7 16.1 1.0 CG B:PRO84 4.9 17.6 1.0 CG B:TRP18 4.9 16.1 1.0 N B:LEU9 4.9 13.9 1.0 CB B:LEU9 5.0 13.9 1.0

H.Ogawa, Y.Qiu, J.S.Philo, T.Arakawa, C.M.Ogata, K.S.Misono. Reversibly Bound Chloride in the Atrial Natriuretic Peptide Receptor Hormone-Binding Domain: Possible Allosteric Regulation and A Conserved Structural Motif For the Chloride-Binding Site. Protein Sci. V. 19 544 2010.
ISSN: ISSN 0961-8368
PubMed: 20066666
DOI: 10.1002/PRO.332