Bromine in PDB 3srb: Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28

All present enzymatic activity of Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28:
3.5.1.97;

The structure of Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28, PDB code: 3srb was solved by A.M.Gulick, E.J.Drake, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	120.961, 166.746, 93.856, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.3

The binding sites of Bromine atom in the Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28 (pdb code 3srb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28, PDB code: 3srb:

Bromine binding site 1 out of 1 in the Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Pseudomonas Aeruginosa Pvdq Bound to SMER28 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1 b:16.7 occ:0.50 BR1 B:28S1 0.0 16.7 0.5 C1 B:28S1 1.9 15.7 1.0 C6 B:28S1 2.9 15.9 1.0 C2 B:28S1 2.9 16.4 1.0 CD2 B:LEU375 3.4 16.0 1.0 CG2 B:VAL271 3.5 16.1 1.0 ND2 B:ASN273 3.7 22.6 1.0 CD1 B:LEU269 3.8 17.1 1.0 CE3 B:TRP378 4.1 12.0 1.0 C5 B:28S1 4.2 14.3 1.0 C3 B:28S1 4.2 14.5 1.0 CD2 B:LEU269 4.2 16.9 1.0 CB B:TRP378 4.2 12.0 1.0 O B:HOH959 4.2 43.9 1.0 CA B:LEU375 4.2 11.9 1.0 O B:VAL374 4.3 11.2 1.0 CG B:LEU269 4.3 15.1 1.0 CB B:LEU269 4.3 14.7 1.0 CG B:LEU375 4.5 13.1 1.0 OD1 B:ASN273 4.6 22.6 1.0 CD2 B:TRP378 4.6 12.6 1.0 CG B:ASN273 4.6 18.3 1.0 CG B:TRP378 4.7 11.9 1.0 C4 B:28S1 4.7 14.3 1.0 C B:VAL374 4.7 11.1 1.0 N B:LEU375 4.7 11.6 1.0 CB B:LEU375 4.8 12.2 1.0 CG2 B:VAL374 4.8 10.5 1.0 CZ3 B:TRP378 4.9 12.9 1.0 O B:LEU375 5.0 12.3 1.0 CB B:VAL271 5.0 14.1 1.0

E.J.Drake, A.M.Gulick. Structural Characterization and High-Throughput Screening of Inhibitors of Pvdq, An Ntn Hydrolase Involved in Pyoverdine Synthesis. Acs Chem.Biol. V. 6 1277 2011.
ISSN: ISSN 1554-8929
PubMed: 21892836
DOI: 10.1021/CB2002973