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Zinc in PDB 7prw: The Glucocorticoid Receptor in Complex with Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP

Protein crystallography data

The structure of The Glucocorticoid Receptor in Complex with Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP, PDB code: 7prw 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) 89.39 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.21, 122.724, 130.449, 90, 90, 90
R / Rfree (%) 20.2 / 26.3

Other elements in 7prw:

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

Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the The Glucocorticoid Receptor in Complex with Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP (pdb code 7prw). 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 Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP, PDB code: 7prw:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 7prw

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Zinc binding site 1 out of 4 in the The Glucocorticoid Receptor in Complex with Velsecorat, 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 Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:84.8
occ:1.00
SG A:CYS424 2.2 90.6 1.0
SG A:CYS441 2.2 77.1 1.0
SG A:CYS421 2.5 103.1 1.0
CB A:CYS441 2.8 80.9 1.0
SG A:CYS438 2.8 101.8 1.0
CB A:CYS424 3.4 92.3 1.0
CB A:CYS438 3.5 100.5 1.0
CB A:CYS421 3.5 103.8 1.0
N A:CYS424 3.9 92.5 1.0
N A:CYS438 3.9 102.7 1.0
CA A:CYS441 3.9 82.4 1.0
N A:CYS441 3.9 83.6 1.0
OG A:SER440 4.2 89.9 1.0
CA A:CYS438 4.2 100.2 1.0
CA A:CYS424 4.2 93.1 1.0
OG1 A:THR437 4.6 111.6 1.0
NE A:ARG470 4.7 67.5 1.0
C A:CYS438 4.8 97.4 1.0
CB A:VAL423 4.8 93.1 1.0
NH2 A:ARG477 4.9 56.1 1.0
C A:CYS424 4.9 95.0 1.0
O A:CYS438 4.9 97.0 1.0
CA A:CYS421 4.9 104.5 1.0
C A:VAL423 5.0 92.7 1.0
CD A:ARG470 5.0 65.0 1.0
CB A:ASP426 5.0 106.1 1.0

Zinc binding site 2 out of 4 in 7prw

Go back to Zinc Binding Sites List in 7prw
Zinc binding site 2 out of 4 in the The Glucocorticoid Receptor in Complex with Velsecorat, 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 Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:39.7
occ:1.00
SG A:CYS463 2.2 57.6 1.0
SG A:CYS457 2.3 46.6 1.0
SG A:CYS476 2.4 51.9 1.0
SG A:CYS473 2.4 45.4 1.0
CB A:CYS463 3.2 55.8 1.0
CB A:CYS473 3.3 45.9 1.0
CB A:CYS476 3.3 50.0 1.0
CB A:CYS457 3.6 47.5 1.0
N A:CYS463 4.1 54.0 1.0
N A:CYS476 4.2 48.8 1.0
CA A:CYS457 4.2 48.3 1.0
CA A:CYS463 4.3 55.5 1.0
CA A:CYS476 4.4 49.8 1.0
N A:ASN461 4.6 48.6 1.0
N A:GLY459 4.6 47.4 1.0
CA A:ASN461 4.6 49.1 1.0
CA A:CYS473 4.7 47.1 1.0
N A:ASP462 4.8 50.4 1.0
N A:ALA458 4.8 47.4 1.0
C A:CYS457 4.9 48.0 1.0
CB A:ALA475 4.9 46.4 1.0
CA A:GLY459 5.0 47.6 1.0

Zinc binding site 3 out of 4 in 7prw

Go back to Zinc Binding Sites List in 7prw
Zinc binding site 3 out of 4 in the The Glucocorticoid Receptor in Complex with Velsecorat, 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 Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:60.1
occ:1.00
SG B:CYS424 2.2 59.1 1.0
SG B:CYS441 2.2 53.2 1.0
SG B:CYS421 2.5 62.2 1.0
SG B:CYS438 2.6 64.1 1.0
CB B:CYS441 3.1 55.4 1.0
CB B:CYS424 3.1 56.4 1.0
CB B:CYS421 3.5 63.0 1.0
N B:CYS424 3.6 55.4 1.0
CB B:CYS438 3.6 63.7 1.0
N B:CYS438 3.8 64.4 1.0
CA B:CYS424 3.9 55.9 1.0
N B:CYS441 4.1 57.1 1.0
CA B:CYS441 4.1 56.5 1.0
CA B:CYS438 4.2 63.5 1.0
NH1 B:ARG470 4.4 52.5 1.0
OG B:SER440 4.4 61.7 1.0
C B:CYS424 4.6 57.0 1.0
C B:VAL423 4.7 55.7 1.0
CB B:VAL423 4.7 56.1 1.0
O B:CYS438 4.8 62.6 1.0
C B:CYS438 4.8 62.8 1.0
CB B:THR437 4.9 68.6 1.0
CA B:CYS421 4.9 63.8 1.0
C B:THR437 4.9 65.9 1.0
CB B:ASP426 4.9 66.6 1.0
N B:SER425 5.0 57.8 1.0

Zinc binding site 4 out of 4 in 7prw

Go back to Zinc Binding Sites List in 7prw
Zinc binding site 4 out of 4 in the The Glucocorticoid Receptor in Complex with Velsecorat, 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 Velsecorat, A PGC1A Coactivator Fragment and Sgk 23BP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn802

b:49.3
occ:1.00
SG B:CYS463 2.1 48.0 1.0
SG B:CYS473 2.1 46.2 1.0
SG B:CYS457 2.3 52.9 1.0
SG B:CYS476 2.3 50.7 1.0
CB B:CYS463 3.0 43.9 1.0
CB B:CYS473 3.1 41.9 1.0
CB B:CYS476 3.2 46.2 1.0
CB B:CYS457 3.5 56.0 1.0
N B:CYS463 3.9 43.5 1.0
CA B:CYS463 4.1 43.3 1.0
N B:CYS476 4.2 44.5 1.0
CA B:CYS457 4.2 57.4 1.0
CA B:CYS476 4.3 45.3 1.0
CA B:ASN461 4.3 46.7 1.0
O A:HOH920 4.3 20.1 1.0
N B:ASN461 4.5 47.3 1.0
CA B:CYS473 4.6 41.8 1.0
C B:ASN461 4.6 45.8 1.0
N B:ASP462 4.7 44.8 1.0
N B:ALA458 4.7 54.1 1.0
N B:GLY459 4.8 49.3 1.0
C B:CYS457 4.9 55.8 1.0

Reference:

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
Page generated: Wed Oct 30 09:18:44 2024

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