Zinc in PDB 7prv: The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP

The structure of The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP, PDB code: 7prv was solved by S.Postel, K.Edman, L.Wissler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.68 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.674, 119.725, 135.527, 90, 90, 90
R / Rfree (%)	21.4 / 25.3

The structure of The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Zinc atom in the The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP (pdb code 7prv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP, PDB code: 7prv:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:94.4 occ:1.00 SG A:CYS424 2.2 96.0 1.0 SG A:CYS438 2.2 98.6 1.0 SG A:CYS441 2.2 86.0 1.0 SG A:CYS421 2.4 102.8 1.0 CB A:CYS441 3.1 87.6 1.0 CB A:CYS421 3.3 103.1 1.0 CB A:CYS424 3.4 96.3 1.0 CB A:CYS438 3.6 99.4 1.0 N A:CYS424 3.7 95.9 1.0 N A:CYS441 4.0 90.2 1.0 NH1 A:ARG470 4.0 88.7 1.0 N A:CYS438 4.0 100.5 1.0 CA A:CYS441 4.1 88.5 1.0 CA A:CYS424 4.1 96.8 1.0 CA A:CYS438 4.4 99.8 1.0 CB A:VAL423 4.5 95.7 1.0 OG A:SER440 4.6 96.8 1.0 CB A:ASP426 4.6 108.8 1.0 O A:CYS438 4.6 99.5 1.0 CA A:CYS421 4.7 103.6 1.0 C A:VAL423 4.8 95.8 1.0 C A:CYS424 4.8 99.1 1.0 NH2 A:ARG477 4.8 68.9 1.0 C A:CYS438 4.8 99.5 1.0 CD A:ARG470 4.8 80.5 1.0 N A:SER425 4.9 100.7 1.0 N A:ASP426 4.9 106.0 1.0

Zinc binding site 2 out of 4 in the The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:58.2 occ:1.00 SG A:CYS473 2.3 59.9 1.0 SG A:CYS463 2.3 62.7 1.0 SG A:CYS457 2.4 63.3 1.0 SG A:CYS476 2.4 68.4 1.0 CB A:CYS473 3.1 60.8 1.0 CB A:CYS463 3.1 60.4 1.0 CB A:CYS476 3.3 64.8 1.0 CB A:CYS457 3.7 64.4 1.0 N A:CYS463 3.9 58.9 1.0 CA A:CYS463 4.1 59.9 1.0 N A:CYS476 4.2 63.3 1.0 CA A:CYS476 4.3 64.2 1.0 CA A:CYS457 4.4 65.0 1.0 N A:ASP462 4.5 55.9 1.0 CA A:CYS473 4.5 61.9 1.0 N A:GLY459 4.7 57.7 1.0 N A:ASN461 4.7 54.8 1.0 CA A:ASN461 4.7 54.2 1.0 N A:ALA458 4.8 62.0 1.0 O A:HOH904 4.9 70.4 1.0 C A:ASN461 4.9 55.5 1.0 C A:CYS457 5.0 63.6 1.0 C A:ASP462 5.0 58.5 1.0

Zinc binding site 3 out of 4 in the The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn801 b:77.0 occ:1.00 SG B:CYS424 2.2 69.7 1.0 SG B:CYS421 2.4 77.6 1.0 SG B:CYS438 2.4 97.3 1.0 SG B:CYS441 2.4 86.9 1.0 CB B:CYS441 3.1 89.5 1.0 CB B:CYS421 3.4 79.9 1.0 CB B:CYS424 3.4 71.8 1.0 CB B:CYS438 3.7 98.2 1.0 N B:CYS424 3.8 72.3 1.0 N B:CYS441 3.9 91.0 1.0 OG B:SER440 4.0 96.4 1.0 N B:CYS438 4.0 100.0 1.0 CA B:CYS441 4.1 90.5 1.0 CA B:CYS424 4.1 72.8 1.0 NH1 B:ARG470 4.2 69.5 1.0 CA B:CYS438 4.4 98.6 1.0 CB B:VAL423 4.6 73.1 1.0 CB B:ASP426 4.6 85.8 1.0 C B:CYS424 4.8 74.9 1.0 O B:CYS438 4.8 97.6 1.0 C B:VAL423 4.8 72.8 1.0 CA B:CYS421 4.8 81.4 1.0 C B:CYS438 4.9 97.6 1.0 NH2 B:ARG477 4.9 60.8 1.0 CB B:THR437 4.9 105.1 1.0 CD B:ARG470 4.9 63.2 1.0 N B:ASP426 5.0 82.4 1.0

Zinc binding site 4 out of 4 in the The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Glucocorticoid Receptor in Complex with Fluticasone Furoate, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn802 b:68.5 occ:1.00 SG B:CYS457 2.2 65.4 1.0 SG B:CYS463 2.2 65.3 1.0 SG B:CYS473 2.3 61.6 1.0 SG B:CYS476 2.3 66.9 1.0 CB B:CYS473 3.1 59.7 1.0 CB B:CYS476 3.2 65.1 1.0 CB B:CYS463 3.3 60.4 1.0 CB B:CYS457 3.4 71.5 1.0 O B:HOH903 4.1 47.5 1.0 N B:CYS463 4.1 60.5 1.0 CA B:CYS457 4.1 73.6 1.0 N B:CYS476 4.1 64.3 1.0 CA B:CYS476 4.2 65.0 1.0 CA B:CYS463 4.3 59.2 1.0 CA B:ASN461 4.5 66.3 1.0 CA B:CYS473 4.6 60.0 1.0 N B:ASN461 4.6 66.8 1.0 N B:ASP462 4.7 63.5 1.0 C B:CYS457 4.8 72.6 1.0 N B:GLY459 4.8 69.6 1.0 N B:ALA458 4.8 71.5 1.0 C B:ASN461 4.9 65.3 1.0 O B:HOH901 5.0 57.7 1.0

S.Postel, L.Wissler, C.A.Johansson, A.Gunnarsson, E.Gordon, B.Collins, M.Castaldo, C.Kohler, D.Oling, P.Johansson, L.F.Roth, B.Beinsteiner, I.Dainty, S.Delaney, B.P.Klaholz, I.M.L.Billas, K.Edman. Quaternary Glucocorticoid Receptor Structure Highlights Allosteric Interdomain Communication Nat.Struct.Mol.Biol. 2023.
ISSN: ESSN 1545-9985
DOI: 10.1038/S41594-022-00914-4