Chlorine in PDB 8hd3: Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide

The structure of Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide, PDB code: 8hd3 was solved by X.Lu, H.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.40 / 2.29
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.032, 34.408, 110.83, 90, 91.32, 90
R / Rfree (%)	20.6 / 25.1

The binding sites of Chlorine atom in the Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide (pdb code 8hd3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide, PDB code: 8hd3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:74.5 occ:1.00 CLAA A:XAW601 0.0 74.5 1.0 CAY A:XAW601 1.8 70.0 1.0 CAV A:XAW601 2.7 63.2 1.0 CAZ A:XAW601 2.9 61.0 1.0 CD1 A:PHE350 3.1 44.5 1.0 CB A:PHE350 3.4 43.5 1.0 CD2 A:LEU362 3.4 45.3 1.0 CG A:PHE350 3.5 45.0 1.0 CD1 A:ILE366 4.1 40.2 1.0 CE1 A:PHE350 4.1 46.0 1.0 CAT A:XAW601 4.1 65.3 1.0 CE2 A:TYR383 4.1 46.7 1.0 CAW A:XAW601 4.1 56.5 1.0 CG A:LEU362 4.1 44.2 1.0 CA A:PHE350 4.3 42.5 1.0 O A:SER346 4.3 38.7 1.0 OH A:TYR383 4.6 44.4 1.0 CAU A:XAW601 4.6 60.5 1.0 CZ A:TYR383 4.6 44.4 1.0 N A:PHE350 4.6 38.9 1.0 CD2 A:PHE350 4.7 47.3 1.0 CD2 A:TYR383 4.8 40.6 1.0 CD1 A:LEU354 4.9 43.3 1.0 CB A:SER346 5.0 42.9 1.0

Chlorine binding site 2 out of 2 in the Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Farnesoid X Receptor AGONISTS_FXR Fused with A HD3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:50.9 occ:1.00 CLAA B:XAW601 0.0 50.9 1.0 CAY B:XAW601 1.8 43.5 1.0 CAV B:XAW601 2.7 40.3 1.0 CAZ B:XAW601 2.9 45.9 1.0 O B:LEU301 3.8 39.1 1.0 CG2 B:THR302 3.8 42.7 1.0 CA B:THR302 3.9 41.4 1.0 C B:LEU301 3.9 42.9 1.0 CH2 B:TRP483 3.9 40.7 1.0 CB B:ALA305 3.9 32.5 1.0 N B:THR302 4.0 39.7 1.0 CZ3 B:TRP483 4.1 43.5 1.0 CAW B:XAW601 4.1 48.1 1.0 CAT B:XAW601 4.1 42.8 1.0 CB B:LEU301 4.2 43.3 1.0 CE2 B:PHE475 4.3 53.0 1.0 CB B:THR302 4.4 42.2 1.0 CAU B:XAW601 4.7 42.9 1.0 CD1 B:LEU479 4.7 37.3 1.0 CA B:LEU301 4.7 44.3 1.0 CD2 B:PHE475 4.7 48.5 1.0 CZ3 B:TRP468 4.8 60.3 1.0 CH2 B:TRP468 4.9 56.3 1.0 CE1 B:PHE298 4.9 49.5 1.0 CD2 B:LEU301 4.9 48.7 1.0

X.Lu, H.Zhang. Crystal Structure of Fxr Fused with A HD3 Peptide in Complex with Agonist QT0127 To Be Published.