Bromine in PDB 1kuv: X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition

All present enzymatic activity of X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition:
2.3.1.87;

The structure of X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition, PDB code: 1kuv was solved by E.Wolf, J.De Angelis, E.M.Khalil, P.A.Cole, S.K.Burley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.313, 68.716, 89.725, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25

The structure of X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition (pdb code 1kuv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition, PDB code: 1kuv:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition within 5.0Å range: probe atom residue distance (Å) B Occ A:Br901 b:52.2 occ:0.71 BR A:CA5901 0.0 52.2 0.7 CT7 A:CA5901 1.9 52.0 0.3 CT9 A:CA5901 1.9 44.4 0.7 CT8 A:CA5901 2.7 52.2 0.3 C11 A:CA5901 2.9 43.2 0.7 CT8 A:CA5901 2.9 45.2 0.7 CT5 A:CA5901 3.0 52.1 0.3 OG A:SER60 3.5 41.8 1.0 NT6 A:CA5901 3.6 52.3 0.3 O A:HOH940 3.7 40.2 1.0 CB A:SER60 3.8 40.3 1.0 OE2 A:GLU161 4.0 47.2 1.0 CD2 A:PHE56 4.0 27.6 1.0 CT9 A:CA5901 4.1 52.5 0.3 CD1 A:LEU186 4.2 44.2 1.0 O A:PHE56 4.2 29.4 1.0 CT4 A:CA5901 4.3 41.2 0.7 CT7 A:CA5901 4.3 43.3 0.7 CT4 A:CA5901 4.3 52.4 0.3 CA A:PHE56 4.4 28.6 1.0 CB A:PHE56 4.4 27.7 1.0 O A:HOH1016 4.6 43.6 1.0 CG A:PHE56 4.7 27.9 1.0 C A:PHE56 4.7 28.5 1.0 CT5 A:CA5901 4.8 42.6 0.7 C11 A:CA5901 4.8 52.4 0.3 CT6 A:CA5901 4.9 52.2 0.3 CE2 A:PHE56 4.9 27.7 1.0

Bromine binding site 2 out of 2 in the X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition within 5.0Å range: probe atom residue distance (Å) B Occ A:Br901 b:52.6 occ:0.29 BR A:CA5901 0.0 52.6 0.3 CT7 A:CA5901 1.4 43.3 0.7 CT9 A:CA5901 1.9 52.5 0.3 CT5 A:CA5901 2.1 42.6 0.7 NT6 A:CA5901 2.5 42.3 0.7 CT8 A:CA5901 2.7 45.2 0.7 CT8 A:CA5901 2.9 52.2 0.3 C11 A:CA5901 2.9 52.4 0.3 C A:CYS63 3.3 27.4 1.0 ND2 A:ASN62 3.4 38.9 1.0 CG1 A:VAL183 3.4 38.9 1.0 N A:CYS63 3.5 28.2 1.0 O A:CYS63 3.5 26.3 1.0 CT4 A:CA5901 3.5 41.2 0.7 CG A:ASN62 3.6 37.4 1.0 CA A:CYS63 3.6 28.5 1.0 N A:PRO64 3.7 26.2 1.0 C A:ASN62 3.7 31.3 1.0 CB A:ASN62 3.8 35.4 1.0 CT6 A:CA5901 3.9 40.6 0.7 CT9 A:CA5901 3.9 44.4 0.7 O A:ASN62 4.0 30.1 1.0 OD1 A:ASN62 4.1 36.6 1.0 C11 A:CA5901 4.2 43.2 0.7 CT7 A:CA5901 4.2 52.0 0.3 CT4 A:CA5901 4.3 52.4 0.3 CD A:PRO64 4.3 24.5 1.0 CA A:PRO64 4.3 26.5 1.0 CT3 A:CA5901 4.4 40.0 0.7 CA A:ASN62 4.4 33.4 1.0 CB A:VAL183 4.6 39.3 1.0 CG2 A:VAL183 4.7 39.4 1.0 CT5 A:CA5901 4.7 52.1 0.3 OG A:SER60 4.9 41.8 1.0

E.Wolf, J.De Angelis, E.M.Khalil, P.A.Cole, S.K.Burley. X-Ray Crystallographic Studies of Serotonin N-Acetyltransferase Catalysis and Inhibition. J.Mol.Biol. V. 317 215 2002.
ISSN: ISSN 0022-2836
PubMed: 11902838
DOI: 10.1006/JMBI.2001.5371