Chlorine in PDB 7fzv: Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One

The structure of Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One, PDB code: 7fzv was solved by A.Ehler, J.Benz, U.Obst, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.83 / 2.55
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	137.496, 137.496, 137.496, 90, 90, 90
R / Rfree (%)	19.5 / 25.2

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One (pdb code 7fzv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One, PDB code: 7fzv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One


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 FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:145.7 occ:1.00 CL17 A:O1L203 0.0 145.7 1.0 C9 A:O1L203 1.7 99.6 1.0 C7 A:O1L203 2.7 83.7 1.0 C10 A:O1L203 2.8 96.8 1.0 C8 A:O1L203 3.0 69.9 1.0 NH2 A:ARG78 3.2 94.7 1.0 NH1 A:ARG78 3.5 84.6 1.0 OE1 A:GLN95 3.7 57.2 1.0 CZ A:ARG78 3.8 92.6 1.0 C13 A:O1L203 4.0 100.9 1.0 C16 A:O1L203 4.1 106.1 1.0 OH A:TYR19 4.3 59.1 1.0 OD1 A:ASP76 4.3 78.4 1.0 N3 A:O1L203 4.4 74.9 1.0 CE2 A:TYR19 4.4 54.2 1.0 CG1 A:VAL23 4.5 66.7 1.0 CB A:THR74 4.5 63.7 1.0 C19 A:O1L203 4.5 101.1 1.0 O11 A:O1L203 4.6 94.7 1.0 CD A:GLN95 4.6 57.5 1.0 NE2 A:GLN95 4.7 60.9 1.0 CG2 A:THR74 4.8 65.4 1.0 CZ A:TYR19 4.9 54.4 1.0 OG1 A:THR74 4.9 63.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One


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 FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:102.3 occ:1.00 CL20 A:O1L203 0.0 102.3 1.0 C16 A:O1L203 1.8 106.1 1.0 C19 A:O1L203 2.8 101.1 1.0 C10 A:O1L203 2.8 96.8 1.0 SD A:MET20 3.5 52.5 1.0 CB A:ASP76 4.0 78.1 1.0 CG A:MET20 4.0 51.8 1.0 N A:ASP76 4.0 64.7 1.0 C13 A:O1L203 4.1 100.9 1.0 CB A:ALA75 4.1 63.5 1.0 C9 A:O1L203 4.1 99.6 1.0 OD1 A:ASP76 4.2 78.4 1.0 CB A:ALA33 4.2 52.8 1.0 CG2 A:VAL25 4.3 50.9 1.0 CG A:ASP76 4.3 80.8 1.0 C A:ALA75 4.4 64.3 1.0 CA A:ASP76 4.4 71.7 1.0 CG1 A:VAL25 4.5 49.8 1.0 C7 A:O1L203 4.6 83.7 1.0 CA A:ALA75 4.8 64.4 1.0 O A:ALA75 4.9 66.5 1.0 CB A:VAL25 5.0 52.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:134.5 occ:1.00 CL17 B:O1L205 0.0 134.5 1.0 C9 B:O1L205 1.7 109.6 1.0 C10 B:O1L205 2.6 115.5 1.0 C7 B:O1L205 2.7 108.3 1.0 C8 B:O1L205 3.1 101.3 1.0 CE2 B:TYR19 3.2 55.9 1.0 NH2 B:ARG78 3.8 67.7 1.0 C16 B:O1L205 3.9 137.8 1.0 C13 B:O1L205 3.9 124.6 1.0 OH B:TYR19 3.9 56.2 1.0 CZ B:TYR19 4.0 61.5 1.0 CD2 B:TYR19 4.2 57.0 1.0 N3 B:O1L205 4.2 101.0 1.0 C6 B:O1L205 4.3 90.3 1.0 C19 B:O1L205 4.4 148.0 1.0 OD1 B:ASP76 4.8 76.1 1.0 CZ B:ARG78 4.9 68.2 1.0 CD1 B:ILE104 4.9 60.1 1.0 CE1 B:PHE16 5.0 61.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human FABP4 in Complex with 1-[(2,4- Dichlorophenyl)Methyl]-4-Hydroxy-3-[(E)-3-Phenylprop-2-Enyl]Pyridin- 2-One within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:125.3 occ:1.00 CL20 B:O1L205 0.0 125.3 1.0 C16 B:O1L205 1.7 137.8 1.0 C10 B:O1L205 2.7 115.5 1.0 C19 B:O1L205 2.7 148.0 1.0 CB B:ALA75 3.8 67.4 1.0 C9 B:O1L205 3.9 109.6 1.0 C13 B:O1L205 4.0 124.6 1.0 CB B:ASP76 4.0 64.3 1.0 SD B:MET20 4.2 64.0 1.0 N B:ASP76 4.2 66.4 1.0 CB B:ALA33 4.2 62.5 1.0 OD1 B:ASP76 4.3 76.1 1.0 C B:ALA75 4.4 65.6 1.0 CG2 B:THR29 4.5 60.4 1.0 CG B:ASP76 4.5 69.4 1.0 C7 B:O1L205 4.5 108.3 1.0 CA B:ASP76 4.6 61.1 1.0 CA B:ALA75 4.7 66.2 1.0 O B:ALA75 4.9 63.2 1.0 CG1 B:VAL25 5.0 64.9 1.0 CE2 B:PHE57 5.0 83.3 1.0

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