Chlorine in PDB 7g05: Crystal Structure of Human FABP4 in Complex with 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol

The structure of Crystal Structure of Human FABP4 in Complex with 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol, PDB code: 7g05 was solved by A.Ehler, J.Benz, U.Obst, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.58 / 0.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.407, 54.071, 75.161, 90, 90, 90
R / Rfree (%)	14.1 / 16.6

The structure of Crystal Structure of Human FABP4 in Complex with 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol (pdb code 7g05). 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 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol, PDB code: 7g05:
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 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol


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 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:15.2 occ:1.00 CL17 A:WJ3201 0.0 15.2 1.0 C07 A:WJ3201 1.7 13.3 1.0 C09 A:WJ3201 2.7 12.1 1.0 C05 A:WJ3201 2.7 13.6 1.0 H21 A:WJ3201 2.7 13.6 1.0 H23 A:WJ3201 2.9 15.7 1.0 O19 A:WJ3201 3.0 15.5 1.0 HD2 A:PHE57 3.1 10.8 1.0 HB3 A:ALA36 3.3 10.2 1.0 HG3 A:PRO38 3.4 13.6 1.0 HB1 A:ALA33 3.5 8.4 1.0 O A:HOH307 3.6 18.4 1.0 HG2 A:PRO38 3.8 12.5 1.0 CD2 A:PHE57 3.8 10.7 1.0 HE2 A:PHE57 3.9 12.0 1.0 O A:ALA33 3.9 8.8 1.0 C04 A:WJ3201 3.9 13.2 1.0 CB A:ALA36 4.0 10.4 1.0 HH22 A:ARG126 4.0 12.9 1.0 C06 A:WJ3201 4.0 13.9 1.0 HB1 A:ALA36 4.0 10.2 1.0 CG A:PRO38 4.0 14.0 1.0 HE2 A:PHE16 4.0 11.8 1.0 HB2 A:ALA36 4.1 9.9 1.0 HZ A:PHE16 4.1 11.7 1.0 HH21 A:ARG126 4.1 12.6 1.0 HA A:ALA33 4.1 7.5 1.0 O A:HOH360 4.2 11.4 1.0 CE2 A:PHE57 4.2 12.4 1.0 NH2 A:ARG126 4.2 12.9 1.0 CB A:ALA33 4.4 8.7 1.0 C08 A:WJ3201 4.5 13.2 1.0 HB3 A:PHE57 4.5 9.8 1.0 HD3 A:PRO38 4.5 9.9 1.0 HG A:SER55 4.6 11.4 1.0 CA A:ALA33 4.6 7.6 1.0 C A:ALA33 4.6 8.1 1.0 CE2 A:PHE16 4.6 12.3 1.0 CZ A:PHE16 4.7 12.7 1.0 HG A:SER53 4.7 10.8 1.0 HB2 A:ALA33 4.7 8.6 1.0 CD A:PRO38 4.9 9.4 1.0 OG A:SER55 4.9 11.5 1.0 CG A:PHE57 4.9 10.5 1.0 HB3 A:PRO38 5.0 10.3 1.0 F16 A:WJ3201 5.0 21.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol


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 2,6-Dichloro-4-(1,1, 1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Phenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.9 occ:1.00 CL18 A:WJ3201 0.0 14.9 1.0 C06 A:WJ3201 1.7 13.9 1.0 C05 A:WJ3201 2.7 13.6 1.0 C08 A:WJ3201 2.7 13.2 1.0 H20 A:WJ3201 2.8 14.2 1.0 O19 A:WJ3201 3.0 15.5 1.0 HB3 A:SER53 3.1 9.8 1.0 O A:HOH426 3.2 21.2 1.0 HG A:SER53 3.3 10.8 1.0 HG1 A:THR60 3.3 14.4 1.0 O A:DMS202 3.4 19.9 1.0 O A:HOH387 3.5 13.9 1.0 H23 A:WJ3201 3.5 15.7 1.0 HB2 A:SER53 3.5 9.8 1.0 OG1 A:THR60 3.5 16.4 1.0 CB A:SER53 3.6 9.9 1.0 OG A:SER53 3.6 11.1 1.0 O A:HOH462 3.8 26.7 1.0 HB2 A:ALA75 3.9 11.7 1.0 C07 A:WJ3201 4.0 13.3 1.0 C04 A:WJ3201 4.1 13.2 1.0 S A:DMS202 4.3 16.8 1.0 C2 A:DMS202 4.3 18.1 1.0 C1 A:DMS202 4.3 17.0 1.0 HB3 A:ALA75 4.5 12.0 1.0 C09 A:WJ3201 4.6 12.1 1.0 CB A:ALA75 4.6 12.0 1.0 HG21 A:THR60 4.7 13.8 1.0 H A:ALA75 4.7 10.6 1.0 O A:HOH453 4.7 24.2 1.0 CB A:THR60 4.8 11.9 1.0 O A:HOH337 4.9 18.7 1.0

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