Chlorine in PDB 7g04: Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid, PDB code: 7g04 was solved by A.Ehler, J.Benz, U.Obst, R.Canesso, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.04 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.391, 62.906, 74.407, 90, 90, 90
R / Rfree (%)	19 / 22

The binding sites of Chlorine atom in the Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid (pdb code 7g04). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid, PDB code: 7g04:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:35.1 occ:1.00 O B:HOH391 2.7 32.4 1.0 O B:HOH411 2.8 25.3 1.0 O A:HOH291 2.9 28.7 1.0 N B:GLU74 3.1 16.2 1.0 CA B:PHE73 3.5 16.0 1.0 CG1 A:VAL121 3.5 20.2 1.0 CB B:PHE73 3.6 16.6 1.0 C B:PHE73 3.8 16.9 1.0 O A:HOH309 3.8 39.6 1.0 CB B:GLU74 4.1 19.2 1.0 CA B:GLU74 4.1 16.4 1.0 CB A:VAL121 4.1 17.8 1.0 O B:GLU74 4.5 17.0 1.0 CG2 A:THR108 4.6 19.8 1.0 O B:LYS72 4.7 21.2 1.0 C B:GLU74 4.8 16.2 1.0 N B:PHE73 4.8 17.2 1.0 O B:HOH377 4.8 30.8 1.0 CG B:PHE73 4.9 16.3 1.0 CG2 A:VAL121 4.9 18.4 1.0 OG1 A:THR108 4.9 23.9 1.0 CB A:GLU119 4.9 24.2 1.0 O B:PHE73 5.0 17.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human FABP5 in Complex with 7-(4-Chlorophenyl)-1, 2,3,4-Tetrahydronaphthalene-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:33.9 occ:0.50 CL20 B:WXZ204 0.0 33.9 0.5 C19 B:WXZ204 1.7 27.6 0.5 C18 B:WXZ204 2.6 25.3 0.5 C17 B:WXZ204 2.7 27.3 0.5 OG B:SER58 2.9 18.9 1.0 CB B:ALA39 3.3 28.4 1.0 CB B:SER58 3.5 17.7 1.0 SD B:MET35 3.7 45.3 1.0 CB B:LYS61 3.8 19.5 1.0 C16 B:WXZ204 3.9 21.6 0.5 CG B:PRO41 3.9 23.7 1.0 C15 B:WXZ204 4.0 25.0 0.5 CG B:MET35 4.0 37.3 1.0 O B:LYS61 4.0 19.6 1.0 CG B:LYS61 4.1 24.3 1.0 CD B:PRO41 4.2 22.1 1.0 CB B:PRO41 4.4 22.7 1.0 C14 B:WXZ204 4.4 23.5 0.5 O B:MET35 4.6 34.2 1.0 CA B:LYS61 4.8 17.0 1.0 CA B:ALA39 4.8 30.7 1.0 C B:LYS61 4.8 17.2 1.0 N B:LYS61 4.9 15.7 1.0 CA B:SER58 4.9 16.1 1.0 O B:HOH316 5.0 29.8 1.0 C B:MET35 5.0 31.0 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP5 Complex To Be Published.