Chlorine in PDB 7g0u: Crystal Structure of Human FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One

The structure of Crystal Structure of Human FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One, PDB code: 7g0u 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)	43.73 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.565, 53.817, 74.965, 90, 90, 90
R / Rfree (%)	13.1 / 16.3

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One (pdb code 7g0u). 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 FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One, PDB code: 7g0u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-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 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:19.7 occ:0.50 CL16 A:WLN202 0.0 19.7 0.5 H35 A:WLN202 0.8 15.5 0.5 C19 A:WLN202 1.1 16.1 0.5 C23 A:WLN202 1.6 18.0 0.5 H41 A:WLN202 1.7 17.2 0.5 C15 A:WLN202 1.7 15.4 0.5 C22 A:WLN202 2.5 16.7 0.5 C14 A:WLN202 2.6 17.5 0.5 H30 A:WLN202 2.7 16.5 0.5 C23 A:WLN202 2.8 15.8 0.5 HB3 A:ASP76 2.8 15.5 1.0 C15 A:WLN202 2.9 15.6 0.5 H41 A:WLN202 2.9 15.3 0.5 H40 A:WLN202 3.0 16.3 0.5 HB1 A:ALA33 3.1 11.7 1.0 HB2 A:ALA33 3.4 11.6 1.0 HB3 A:ALA33 3.4 11.7 1.0 C11 A:WLN202 3.5 15.6 0.5 CB A:ALA33 3.5 11.8 1.0 HE2 A:PHE57 3.5 20.3 1.0 SD A:MET20 3.6 12.8 1.0 HG22 A:THR29 3.6 13.9 1.0 HG11 A:VAL25 3.7 11.6 1.0 C14 A:WLN202 3.7 16.2 0.5 HG21 A:VAL25 3.7 11.9 1.0 CB A:ASP76 3.8 15.4 1.0 C11 A:WLN202 3.9 15.6 0.5 HG2 A:MET20 4.0 11.2 1.0 H36 A:WLN202 4.1 16.7 0.5 H36 A:WLN202 4.1 16.8 0.5 C19 A:WLN202 4.1 15.5 0.5 CE2 A:PHE57 4.2 23.1 1.0 HB3 A:ALA75 4.2 14.2 1.0 CL16 A:WLN202 4.2 17.4 0.5 HB2 A:ASP76 4.3 15.9 1.0 CG2 A:THR29 4.3 14.5 1.0 HG23 A:THR29 4.3 13.0 1.0 H A:ASP76 4.3 13.5 1.0 HZ A:PHE16 4.4 14.4 1.0 HG21 A:THR29 4.4 14.2 1.0 CG A:ASP76 4.4 13.4 1.0 HA A:ASP76 4.4 15.3 1.0 N A:ASP76 4.4 14.2 1.0 CG A:MET20 4.4 11.6 1.0 HZ A:PHE57 4.5 21.5 1.0 CA A:ASP76 4.5 15.1 1.0 OD1 A:ASP76 4.5 13.6 1.0 C22 A:WLN202 4.5 16.1 0.5 HE2 A:PHE16 4.5 13.6 1.0 CG1 A:VAL25 4.6 11.8 1.0 H30 A:WLN202 4.6 15.7 0.5 CG2 A:VAL25 4.7 11.7 1.0 CZ A:PHE57 4.7 21.5 1.0 HG13 A:VAL25 4.7 11.4 1.0 HB1 A:ALA75 4.8 14.1 1.0 H35 A:WLN202 4.9 15.5 0.5 HG22 A:VAL25 4.9 12.1 1.0 C08 A:WLN202 4.9 16.4 0.5 H24 A:WLN202 4.9 17.1 0.5 CZ A:PHE16 4.9 15.3 1.0 CB A:ALA75 4.9 14.3 1.0 CD2 A:PHE57 5.0 19.4 1.0 C A:ALA75 5.0 13.3 1.0 H39 A:WLN202 5.0 18.2 0.5 CA A:ALA33 5.0 10.9 1.0 H39 A:WLN202 5.0 18.2 0.5 HD2 A:PHE57 5.0 18.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-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 5-[(3-Chlorophenyl) Methyl]-6-Hydroxy-1-Methyl-4-Morpholin-4-Ylpyrimidin-2-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:17.4 occ:0.50 CL16 A:WLN202 0.0 17.4 0.5 H35 A:WLN202 1.2 15.5 0.5 H41 A:WLN202 1.4 15.3 0.5 C19 A:WLN202 1.5 15.5 0.5 C23 A:WLN202 1.6 15.8 0.5 C15 A:WLN202 1.7 15.6 0.5 C14 A:WLN202 2.7 16.2 0.5 C23 A:WLN202 2.7 18.0 0.5 H30 A:WLN202 2.8 15.7 0.5 H41 A:WLN202 2.8 17.2 0.5 C22 A:WLN202 2.9 16.1 0.5 HE2 A:TYR19 3.0 10.1 1.0 C15 A:WLN202 3.0 15.4 0.5 HG2 A:MET20 3.0 11.2 1.0 HH21 A:ARG78 3.1 12.8 1.0 HG11 A:VAL23 3.3 14.8 1.0 HG21 A:VAL25 3.4 11.9 1.0 H40 A:WLN202 3.4 15.6 0.5 HG21 A:VAL23 3.4 14.2 1.0 NH2 A:ARG78 3.6 12.6 1.0 HH22 A:ARG78 3.6 12.5 1.0 CE2 A:TYR19 3.7 10.9 1.0 HA A:MET20 3.7 10.5 1.0 HG23 A:VAL25 3.8 11.8 1.0 C11 A:WLN202 3.8 15.6 0.5 C14 A:WLN202 3.9 17.5 0.5 HB A:VAL23 3.9 14.1 1.0 C11 A:WLN202 4.0 15.6 0.5 CG2 A:VAL25 4.0 11.7 1.0 O A:HOH352 4.0 14.5 1.0 C19 A:WLN202 4.0 16.1 0.5 CG A:MET20 4.0 11.6 1.0 OD1 A:ASP76 4.0 13.6 1.0 CG1 A:VAL23 4.1 15.1 1.0 HD2 A:TYR19 4.1 10.1 1.0 CG A:ASP76 4.2 13.4 1.0 HG22 A:VAL25 4.2 12.1 1.0 HG12 A:VAL23 4.2 15.7 1.0 CL16 A:WLN202 4.2 19.7 0.5 HE A:ARG78 4.3 12.8 1.0 CG2 A:VAL23 4.3 14.6 1.0 OD2 A:ASP76 4.3 15.2 1.0 CD2 A:TYR19 4.3 10.7 1.0 CB A:VAL23 4.3 14.6 1.0 HG3 A:MET20 4.4 11.3 1.0 C22 A:WLN202 4.5 16.7 0.5 CZ A:ARG78 4.5 12.7 1.0 HB3 A:ASP76 4.5 15.5 1.0 HZ A:PHE16 4.5 14.4 1.0 CZ A:TYR19 4.6 9.3 1.0 CA A:MET20 4.6 10.4 1.0 HH A:TYR19 4.6 10.6 1.0 OH A:TYR19 4.6 11.1 1.0 CB A:MET20 4.7 10.5 1.0 HG22 A:VAL23 4.7 14.9 1.0 H35 A:WLN202 4.8 15.5 0.5 HE1 A:PHE16 4.8 13.8 1.0 HB3 A:MET20 4.8 10.6 1.0 H30 A:WLN202 4.8 16.5 0.5 NE A:ARG78 4.8 12.9 1.0 HG13 A:VAL23 4.9 15.2 1.0 HG23 A:VAL23 4.9 13.1 1.0 SD A:MET20 4.9 12.8 1.0 CZ A:PHE16 5.0 15.3 1.0 CB A:ASP76 5.0 15.4 1.0

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