Chlorine in PDB 4p6w: Crystal Structure of Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain

The structure of Crystal Structure of Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain, PDB code: 4p6w was solved by Y.He, X.E.Zhou, W.D.Tolbert, K.Powell, K.Melcher, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 1.95
Space group	P 2 3
Cell size a, b, c (Å), α, β, γ (°)	130.218, 130.218, 130.218, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain (pdb code 4p6w). 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 Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain, PDB code: 4p6w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain


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 Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:34.4 occ:1.00 CL25 A:MOF801 0.0 34.4 1.0 C19 A:MOF801 1.8 30.6 1.0 C15 A:MOF801 2.6 31.2 1.0 C14 A:MOF801 2.7 34.6 1.0 C24 A:MOF801 2.7 30.1 1.0 C29 A:MOF801 3.0 30.3 1.0 C30 A:MOF801 3.0 30.8 1.0 C20 A:MOF801 3.1 30.8 1.0 C7 A:MOF801 3.1 33.8 1.0 C6 A:MOF801 3.1 36.9 1.0 C32 A:MOF801 3.4 26.1 1.0 C33 A:MOF801 3.5 26.8 1.0 C26 A:MOF801 3.6 31.9 1.0 CE2 A:PHE623 3.7 27.3 1.0 C2 A:MOF801 3.7 35.2 1.0 C34 A:MOF801 3.7 36.5 1.0 O21 A:MOF801 3.9 36.0 1.0 CD2 A:PHE623 4.0 25.0 1.0 CB A:LEU563 4.0 27.6 1.0 O4 A:MOF801 4.1 40.2 1.0 CD1 A:LEU563 4.2 27.3 1.0 C31 A:MOF801 4.2 30.2 1.0 C22 A:MOF801 4.3 39.7 1.0 C9 A:MOF801 4.5 36.1 1.0 CG A:LEU563 4.5 27.5 1.0 C1 A:MOF801 4.6 37.4 1.0 O35 A:MOF801 4.6 35.1 1.0 CD2 A:LEU563 4.7 28.8 1.0 CZ A:PHE623 4.8 28.7 1.0 SD A:MET646 4.8 38.7 1.0 O A:LEU563 4.9 29.7 1.0 C8 A:MOF801 4.9 35.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain


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 Mometasone Furoate-Bound Glucocorticoid Receptor Ligand Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:79.0 occ:1.00 CL18 A:MOF801 0.0 79.0 1.0 C12 A:MOF801 1.9 43.0 1.0 C5 A:MOF801 2.8 39.7 1.0 ND2 A:ASN564 3.0 36.0 1.0 O13 A:MOF801 3.1 43.9 1.0 OD1 A:ASN564 3.4 35.4 1.0 CZ A:PHE749 3.5 40.3 1.0 CG A:ASN564 3.6 38.9 1.0 CG2 A:THR739 3.7 43.3 1.0 CG2 A:ILE747 3.9 40.5 1.0 CE2 A:PHE749 3.9 39.6 1.0 C8 A:MOF801 4.1 35.6 1.0 C1 A:MOF801 4.1 37.4 1.0 CB A:THR739 4.2 44.8 1.0 CE1 A:PHE749 4.2 41.4 1.0 C7 A:MOF801 4.3 33.8 1.0 CB A:MET560 4.3 32.6 1.0 C2 A:MOF801 4.3 35.2 1.0 O A:MET560 4.5 30.1 1.0 OG1 A:THR739 4.6 47.6 1.0 SD A:MET560 4.7 49.4 1.0 O4 A:MOF801 4.8 40.2 1.0 CG A:MET560 4.8 39.0 1.0 CD1 A:ILE747 4.8 50.3 1.0 CB A:ILE747 4.9 45.0 1.0 C A:MET560 4.9 34.6 1.0 CD2 A:PHE749 5.0 38.2 1.0

Y.He, W.Yi, K.Suino-Powell, X.E.Zhou, W.D.Tolbert, X.Tang, J.Yang, H.Yang, J.Shi, L.Hou, H.Jiang, K.Melcher, H.E.Xu. Structures and Mechanism For the Design of Highly Potent Glucocorticoids. Cell Res. V. 24 713 2014.
ISSN: ISSN 1001-0602
PubMed: 24763108
DOI: 10.1038/CR.2014.52