Chlorine in PDB 1sr7: Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate

The structure of Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate, PDB code: 1sr7 was solved by K.P.Madauss, S.-J.Deng, R.J.Austin, M.H.Lambert, I.Mclay, J.Pritchard, S.A.Short, E.L.Stewart, I.J.Uings, S.P.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.112, 64.256, 70.091, 90.00, 96.88, 90.00
R / Rfree (%)	17.4 / 21.1

The binding sites of Chlorine atom in the Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate (pdb code 1sr7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate, PDB code: 1sr7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:23.6 occ:1.00 CL25 A:MOF301 0.0 23.6 1.0 C19 A:MOF301 1.8 14.0 1.0 C15 A:MOF301 2.6 18.0 1.0 C14 A:MOF301 2.7 17.6 1.0 C24 A:MOF301 2.8 16.3 1.0 C20 A:MOF301 3.0 18.3 1.0 C29 A:MOF301 3.0 17.3 1.0 C7 A:MOF301 3.0 14.9 1.0 C6 A:MOF301 3.2 17.6 1.0 C30 A:MOF301 3.2 19.2 1.0 CE2 A:PHE778 3.6 17.2 1.0 C26 A:MOF301 3.7 22.1 1.0 C2 A:MOF301 3.7 16.5 1.0 C32 A:MOF301 3.7 18.4 1.0 C33 A:MOF301 3.8 19.1 1.0 O21 A:MOF301 4.0 21.9 1.0 CD2 A:PHE778 4.0 16.1 1.0 O4 A:MOF301 4.1 18.1 1.0 C34 A:MOF301 4.1 23.6 1.0 CD2 A:LEU718 4.1 17.6 1.0 CB A:LEU718 4.2 14.7 1.0 C22 A:MOF301 4.2 14.1 1.0 C31 A:MOF301 4.2 16.3 1.0 CG A:LEU718 4.5 13.3 1.0 C9 A:MOF301 4.5 19.6 1.0 CD1 A:LEU718 4.5 15.8 1.0 CE A:MET801 4.6 19.1 1.0 C1 A:MOF301 4.6 14.9 1.0 SD A:MET801 4.7 23.4 1.0 CZ A:PHE778 4.7 16.5 1.0 C8 A:MOF301 4.8 20.8 1.0 O35 A:MOF301 5.0 26.8 1.0

Chlorine binding site 2 out of 4 in the Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:36.3 occ:1.00 CL18 A:MOF301 0.0 36.3 1.0 C12 A:MOF301 1.7 17.7 1.0 C5 A:MOF301 2.6 18.1 1.0 O13 A:MOF301 2.8 21.7 1.0 O17 A:MOF301 3.6 20.1 1.0 CG2 A:THR894 3.6 18.5 1.0 CZ A:PHE905 3.7 18.9 1.0 C1 A:MOF301 4.0 14.9 1.0 CG1 A:VAL903 4.0 23.0 1.0 ND2 A:ASN719 4.1 19.4 1.0 CB A:THR894 4.1 16.4 1.0 CD2 A:LEU715 4.1 20.2 1.0 C11 A:MOF301 4.2 17.1 1.0 OG1 A:THR894 4.2 18.8 1.0 CB A:LEU715 4.2 18.9 1.0 OD1 A:ASN719 4.3 17.6 1.0 CE2 A:PHE905 4.4 21.6 1.0 CD1 A:LEU715 4.4 24.3 1.0 O4 A:MOF301 4.4 18.1 1.0 CG A:LEU715 4.4 18.7 1.0 CE2 A:TYR890 4.5 21.3 1.0 CE1 A:PHE905 4.5 16.2 1.0 CG A:ASN719 4.6 18.8 1.0 C2 A:MOF301 4.7 16.5 1.0 CD2 A:TYR890 4.8 18.3 1.0 C7 A:MOF301 4.9 14.9 1.0 C8 A:MOF301 4.9 20.8 1.0

Chlorine binding site 3 out of 4 in the Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:24.6 occ:1.00 CL25 B:MOF302 0.0 24.6 1.0 C19 B:MOF302 1.9 15.2 1.0 C24 B:MOF302 2.7 16.9 1.0 C15 B:MOF302 2.7 16.0 1.0 C14 B:MOF302 2.8 16.3 1.0 C29 B:MOF302 3.0 15.9 1.0 C30 B:MOF302 3.1 16.8 1.0 C20 B:MOF302 3.1 17.9 1.0 C7 B:MOF302 3.1 17.5 1.0 C6 B:MOF302 3.2 18.3 1.0 CE2 B:PHE778 3.5 12.4 1.0 C26 B:MOF302 3.7 19.0 1.0 C2 B:MOF302 3.7 16.4 1.0 C32 B:MOF302 3.7 19.5 1.0 C33 B:MOF302 3.8 19.7 1.0 CD2 B:PHE778 3.9 13.3 1.0 C34 B:MOF302 3.9 19.2 1.0 O21 B:MOF302 3.9 21.8 1.0 O23 B:MOF302 4.0 21.9 1.0 CD2 B:LEU718 4.1 17.2 1.0 CB B:LEU718 4.1 14.1 1.0 C31 B:MOF302 4.1 18.8 1.0 O4 B:MOF302 4.1 18.7 1.0 CD1 B:LEU718 4.2 19.0 1.0 CG B:LEU718 4.3 16.1 1.0 C9 B:MOF302 4.5 18.7 1.0 CZ B:PHE778 4.6 15.0 1.0 C1 B:MOF302 4.6 19.4 1.0 SD B:MET801 4.7 23.3 1.0 CE B:MET801 4.8 20.4 1.0 O35 B:MOF302 4.8 23.4 1.0 C28 B:MOF302 4.8 23.6 1.0 C8 B:MOF302 4.8 20.1 1.0

Chlorine binding site 4 out of 4 in the Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:44.9 occ:1.00 CL18 B:MOF302 0.0 44.9 1.0 C12 B:MOF302 1.7 27.5 1.0 C5 B:MOF302 2.5 22.8 1.0 O13 B:MOF302 2.7 26.0 1.0 CG2 B:THR894 3.4 16.4 1.0 ND2 B:ASN719 3.6 18.5 1.0 CZ B:PHE905 3.6 18.8 1.0 CB B:THR894 3.8 13.6 1.0 C1 B:MOF302 4.0 19.4 1.0 OD1 B:ASN719 4.0 17.4 1.0 CE2 B:PHE905 4.1 18.2 1.0 CG B:ASN719 4.2 15.9 1.0 OG1 B:THR894 4.2 16.8 1.0 CG1 B:VAL903 4.2 15.6 1.0 O17 B:MOF302 4.2 20.7 1.0 CD1 B:LEU715 4.2 21.2 1.0 CB B:LEU715 4.4 14.4 1.0 C8 B:MOF302 4.4 20.1 1.0 C2 B:MOF302 4.4 16.4 1.0 C7 B:MOF302 4.5 17.5 1.0 CE1 B:PHE905 4.5 15.6 1.0 O4 B:MOF302 4.6 18.7 1.0 CD2 B:LEU715 4.6 17.6 1.0 CG B:LEU715 4.7 14.7 1.0 C11 B:MOF302 4.7 18.8 1.0 CA B:CYS891 5.0 11.8 1.0

K.P.Madauss, S.-J.Deng, R.J.Austin, M.H.Lambert, I.Mclay, J.Pritchard, S.A.Short, E.L.Stewart, I.J.Uings, S.P.Williams. Progesterone Receptor Ligand Binding Pocket Flexibility: Crystal Structures of the Norethindrone and Mometasone Furoate Complexes J.Med.Chem. V. 47 3381 2004.
ISSN: ISSN 0022-2623
PubMed: 15189034
DOI: 10.1021/JM030640N