Bromine in PDB 7fzw: Crystal Structure of Human FABP4 in Complex with 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid, PDB code: 7fzw was solved by A.Ehler, J.Benz, U.Obst, H.Richter, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.52 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.786, 53.581, 74.524, 90, 90, 90
R / Rfree (%)	14.4 / 18.3

The binding sites of Bromine atom in the Crystal Structure of Human FABP4 in Complex with 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid (pdb code 7fzw). 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 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid, PDB code: 7fzw:
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 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- 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 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:33.2 occ:0.70 BR24 A:WI8204 0.0 33.2 0.7 C13 A:WI8204 1.8 29.3 1.0 BR A:BR206 2.2 26.5 0.3 OG A:SER55 2.4 19.8 1.0 H35 A:WI8204 2.6 28.9 1.0 C12 A:WI8204 2.6 30.1 1.0 HG A:SER55 2.7 19.4 1.0 C14 A:WI8204 2.8 27.6 1.0 HB3 A:SER55 2.9 18.0 1.0 H36 A:WI8204 2.9 25.9 1.0 HB1 A:ALA36 3.0 13.6 1.0 CB A:SER55 3.2 18.2 1.0 HB3 A:PHE57 3.3 25.0 0.3 HG3 A:PRO38 3.3 19.1 1.0 HB3 A:PHE57 3.4 25.4 0.7 HB3 A:ALA36 3.4 13.4 1.0 HD2 A:PHE57 3.4 34.7 0.7 CB A:ALA36 3.5 13.7 1.0 HB2 A:SER55 3.5 18.1 1.0 HB2 A:ALA36 3.5 13.2 1.0 HB3 A:PRO38 3.7 15.4 1.0 H A:LYS58 3.7 19.1 1.0 HD2 A:PHE57 3.8 35.1 0.3 C17 A:WI8204 3.9 25.9 1.0 O A:LYS58 4.0 21.8 1.0 C15 A:WI8204 4.0 24.3 1.0 O A:HOH396 4.1 41.2 1.0 CG A:PRO38 4.2 19.2 1.0 HD3 A:PRO38 4.2 14.4 1.0 CB A:PHE57 4.3 25.1 0.3 H A:PHE57 4.3 18.0 1.0 CD2 A:PHE57 4.3 35.6 0.7 CB A:PHE57 4.3 25.0 0.7 CB A:PRO38 4.4 15.5 1.0 HB2 A:LYS58 4.4 28.7 1.0 C16 A:WI8204 4.4 23.4 1.0 N A:LYS58 4.4 19.9 1.0 OG A:SER53 4.5 26.3 1.0 CA A:SER55 4.5 16.9 1.0 CD2 A:PHE57 4.6 35.9 0.3 HG A:SER53 4.6 24.8 1.0 H37 A:WI8204 4.6 25.5 1.0 HB2 A:PHE57 4.6 25.1 0.3 HB3 A:LYS58 4.7 27.0 1.0 CD A:PRO38 4.7 14.9 1.0 N A:SER55 4.8 16.4 1.0 HB2 A:PHE57 4.8 25.1 0.7 HA A:PRO38 4.8 12.6 1.0 CG A:PHE57 4.8 31.0 0.7 CB A:LYS58 4.9 27.9 1.0 HG2 A:PRO38 4.9 17.8 1.0 CG A:PHE57 4.9 30.7 0.3 H A:SER55 4.9 16.5 1.0 CA A:ALA36 4.9 12.8 1.0 C A:LYS58 4.9 21.4 1.0 HA A:ALA33 4.9 13.1 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- 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 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:26.5 occ:0.30 BR24 A:WI8204 2.2 33.2 0.7 OG A:SER53 2.6 26.3 1.0 HB3 A:PRO38 2.8 15.4 1.0 HB3 A:SER55 2.9 18.0 1.0 HG A:SER55 3.0 19.4 1.0 HG A:SER53 3.0 24.8 1.0 O A:HOH396 3.1 41.2 1.0 OG A:SER55 3.2 19.8 1.0 O A:LYS58 3.2 21.8 1.0 C13 A:WI8204 3.3 29.3 1.0 H36 A:WI8204 3.3 25.9 1.0 CB A:SER55 3.5 18.2 1.0 HB3 A:SER53 3.5 20.9 1.0 HG3 A:PRO38 3.6 19.1 1.0 CB A:SER53 3.6 21.5 1.0 C14 A:WI8204 3.6 27.6 1.0 CB A:PRO38 3.7 15.5 1.0 C A:SER53 3.8 17.6 1.0 O A:SER53 3.8 22.3 1.0 N A:SER55 3.9 16.4 1.0 C A:GLU54 4.0 18.3 1.0 H A:SER55 4.0 16.5 1.0 N A:GLU54 4.0 18.0 1.0 HB2 A:PRO38 4.1 14.8 1.0 CG A:PRO38 4.2 19.2 1.0 HB2 A:SER55 4.2 18.1 1.0 H A:LYS58 4.2 19.1 1.0 CA A:SER53 4.3 16.9 1.0 C12 A:WI8204 4.3 30.1 1.0 HA A:GLU54 4.3 18.2 1.0 O A:GLU54 4.3 17.1 1.0 CA A:SER55 4.3 16.9 1.0 HA A:PRO38 4.3 12.6 1.0 C A:LYS58 4.3 21.4 1.0 CA A:GLU54 4.3 18.1 1.0 H35 A:WI8204 4.4 28.9 1.0 H A:GLU54 4.4 17.3 1.0 HB2 A:SER53 4.4 20.8 1.0 HB3 A:LYS58 4.4 27.0 1.0 HA A:ASN59 4.5 20.1 1.0 HA A:SER53 4.6 16.9 1.0 CA A:PRO38 4.6 12.7 1.0 HB1 A:ALA36 4.7 13.6 1.0 HG23 A:THR60 4.7 28.7 1.0 HG2 A:PRO38 4.8 17.8 1.0 H A:THR60 4.9 17.4 1.0 C15 A:WI8204 4.9 24.3 1.0 HB2 A:LYS58 4.9 28.7 1.0 HA A:SER55 4.9 17.1 1.0 O A:HOH347 4.9 24.0 1.0 N A:LYS58 5.0 19.9 1.0 HD2 A:PHE57 5.0 34.7 0.7

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