Bromine in PDB 7g16: Crystal Structure of Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid, PDB code: 7g16 was solved by A.Ehler, J.Benz, U.Obst, W.Hofheinz, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.361, 53.882, 74.605, 90, 90, 90
R / Rfree (%)	13.7 / 15.9

The binding sites of Bromine atom in the Crystal Structure of Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid (pdb code 7g16). 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 Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid, PDB code: 7g16:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid


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 Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:16.1 occ:0.80 BR15 A:WML201 0.0 16.1 0.8 C9 A:WML201 1.9 13.0 1.0 BR A:BR204 2.2 22.2 0.2 C4 A:WML201 2.8 12.6 1.0 C14 A:WML201 2.9 15.2 1.0 O A:ALA33 3.3 10.4 1.0 O A:HOH346 3.8 11.8 1.0 CB A:ALA36 3.8 12.1 1.0 CD2 A:PHE57 3.9 15.7 1.0 C A:ALA33 4.1 9.9 1.0 CB A:ALA33 4.1 11.3 1.0 NH2 A:ARG126 4.1 11.9 0.5 CG A:PRO38 4.1 15.0 1.0 C1 A:WML201 4.1 12.8 1.0 NH2 A:ARG126 4.1 12.1 0.5 CA A:ALA33 4.2 9.7 1.0 C8 A:WML201 4.2 15.8 1.0 CE2 A:PHE16 4.4 13.3 1.0 CE2 A:PHE57 4.4 19.8 1.0 O A:HOH368 4.6 14.0 1.0 C3 A:WML201 4.6 14.4 1.0 CD A:PRO38 4.7 10.6 1.0 CZ A:PHE16 4.8 15.3 1.0 CG A:PHE57 4.9 13.0 1.0 OG A:SER55 4.9 12.4 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid


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 Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:22.2 occ:0.20 BR15 A:WML201 2.2 16.1 0.8 O A:HOH368 2.6 14.0 1.0 C9 A:WML201 2.8 13.0 1.0 OG A:SER55 2.8 12.4 1.0 C14 A:WML201 2.9 15.2 1.0 CB A:ALA36 3.4 12.1 1.0 CG A:PRO38 3.4 15.0 1.0 CD2 A:PHE57 3.6 15.7 1.0 CB A:SER55 3.6 11.7 1.0 C4 A:WML201 4.1 12.6 1.0 CB A:PRO38 4.1 10.5 1.0 C8 A:WML201 4.2 15.8 1.0 CB A:PHE57 4.2 12.2 1.0 CD A:PRO38 4.3 10.6 1.0 CG A:PHE57 4.4 13.0 1.0 OG A:SER53 4.5 13.3 1.0 CE2 A:PHE57 4.5 19.8 1.0 O A:LYS58 4.7 12.1 1.0 O A:ALA33 4.8 10.4 1.0 N A:LYS58 4.8 11.3 1.0 CA A:ALA36 4.9 10.1 1.0 CA A:PRO38 4.9 10.2 1.0 CA A:SER55 4.9 10.8 1.0 N A:PRO38 5.0 9.6 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Complex To Be Published.