Zinc in PDB 3g6u: Gr Dna-Binding Domain:FKBP5 16BP Complex-49

The structure of Gr Dna-Binding Domain:FKBP5 16BP Complex-49, PDB code: 3g6u was solved by M.A.Pufall, K.R.Yamamoto, S.H.Meijsing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.38 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.243, 39.088, 95.610, 90.00, 122.67, 90.00
R / Rfree (%)	18.9 / 22

The binding sites of Zinc atom in the Gr Dna-Binding Domain:FKBP5 16BP Complex-49 (pdb code 3g6u). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Gr Dna-Binding Domain:FKBP5 16BP Complex-49, PDB code: 3g6u:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Gr Dna-Binding Domain:FKBP5 16BP Complex-49


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Gr Dna-Binding Domain:FKBP5 16BP Complex-49 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn526 b:43.8 occ:1.00 SG A:CYS440 2.2 38.7 1.0 SG A:CYS457 2.3 47.2 1.0 SG A:CYS443 2.3 46.2 1.0 SG A:CYS460 2.3 39.1 1.0 CB A:CYS460 3.2 39.2 1.0 CB A:CYS440 3.3 38.7 1.0 CB A:CYS443 3.3 44.6 1.0 CB A:CYS457 3.6 52.0 1.0 N A:CYS443 3.7 41.1 1.0 N A:CYS457 4.0 50.7 1.0 CA A:CYS443 4.1 50.4 1.0 N A:CYS460 4.2 36.8 1.0 CA A:CYS460 4.3 38.9 1.0 NH1 A:ARG489 4.3 44.8 1.0 CA A:CYS457 4.3 44.9 1.0 OG A:SER459 4.4 51.7 1.0 CB A:VAL442 4.5 36.7 1.0 CB A:ASP445 4.6 60.1 1.0 C A:CYS443 4.6 49.5 1.0 C A:VAL442 4.7 48.9 1.0 CA A:CYS440 4.7 51.5 1.0 N A:ASP445 4.7 53.7 1.0 N A:SER444 4.8 46.4 1.0 O A:CYS457 4.8 43.2 1.0 C A:CYS457 4.9 43.4 1.0 NH2 A:ARG496 5.0 38.2 1.0

Zinc binding site 2 out of 4 in the Gr Dna-Binding Domain:FKBP5 16BP Complex-49


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Gr Dna-Binding Domain:FKBP5 16BP Complex-49 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn527 b:37.0 occ:1.00 SG A:CYS476 2.3 38.6 1.0 SG A:CYS495 2.3 37.0 1.0 SG A:CYS482 2.3 38.2 1.0 SG A:CYS492 2.3 36.4 1.0 CB A:CYS482 3.3 38.7 1.0 CB A:CYS476 3.3 38.7 1.0 CB A:CYS492 3.4 36.2 1.0 CB A:CYS495 3.4 31.6 1.0 O A:HOH76 3.8 36.3 1.0 CA A:CYS476 3.9 37.7 1.0 N A:CYS482 4.0 40.1 1.0 N A:CYS495 4.2 33.5 1.0 CA A:CYS482 4.2 40.5 1.0 CA A:CYS495 4.3 29.5 1.0 CA A:ASN480 4.4 49.5 1.0 N A:ASN480 4.5 41.3 1.0 O A:HOH2 4.6 35.4 1.0 N A:ASP481 4.6 40.2 1.0 N A:ALA477 4.6 40.9 1.0 O A:HOH74 4.7 39.9 1.0 C A:CYS476 4.7 42.1 1.0 N A:GLY478 4.7 43.8 1.0 O A:HOH11 4.7 48.1 1.0 CA A:CYS492 4.8 32.9 1.0 C A:ASN480 4.8 47.6 1.0 CB A:ALA494 4.9 29.6 1.0 O A:CYS492 5.0 38.1 1.0

Zinc binding site 3 out of 4 in the Gr Dna-Binding Domain:FKBP5 16BP Complex-49


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Gr Dna-Binding Domain:FKBP5 16BP Complex-49 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn526 b:71.1 occ:1.00 SG B:CYS440 2.3 71.9 1.0 SG B:CYS443 2.3 74.8 1.0 SG B:CYS460 2.4 69.9 1.0 SG B:CYS457 2.4 73.5 1.0 CB B:CYS440 3.1 0.2 1.0 CB B:CYS460 3.3 79.2 1.0 CB B:CYS443 3.4 93.0 1.0 CB B:CYS457 3.4 0.3 1.0 N B:CYS443 3.5 80.0 1.0 N B:CYS457 3.8 0.5 1.0 CA B:CYS443 4.0 90.3 1.0 CA B:CYS457 4.2 0.0 1.0 N B:CYS460 4.3 61.6 1.0 CB B:VAL442 4.3 68.1 1.0 CA B:CYS460 4.4 69.2 1.0 OG B:SER459 4.4 71.9 1.0 CB B:ASP445 4.4 85.8 1.0 C B:VAL442 4.5 68.8 1.0 CA B:CYS440 4.6 0.7 1.0 N B:SER444 4.6 95.6 1.0 C B:CYS443 4.6 92.7 1.0 NH1 B:ARG489 4.7 0.9 1.0 N B:ASP445 4.7 98.2 1.0 CA B:VAL442 4.8 75.8 1.0 N B:VAL442 4.8 78.7 1.0 C B:CYS457 4.9 95.5 1.0 NH2 B:ARG496 4.9 52.6 1.0 CG1 B:VAL442 4.9 59.5 1.0 O B:CYS457 4.9 93.9 1.0 C B:THR456 5.0 98.1 1.0

Zinc binding site 4 out of 4 in the Gr Dna-Binding Domain:FKBP5 16BP Complex-49


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Gr Dna-Binding Domain:FKBP5 16BP Complex-49 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn527 b:39.6 occ:1.00 SG B:CYS476 2.3 40.2 1.0 SG B:CYS482 2.3 38.0 1.0 SG B:CYS492 2.3 38.5 1.0 SG B:CYS495 2.4 41.3 1.0 CB B:CYS482 3.2 40.8 1.0 CB B:CYS476 3.3 36.1 1.0 CB B:CYS492 3.3 37.6 1.0 CB B:CYS495 3.4 34.5 1.0 N B:CYS482 3.9 45.1 1.0 CA B:CYS476 4.0 31.8 1.0 O A:HOH75 4.0 34.5 1.0 O B:HOH6 4.1 43.8 1.0 CA B:CYS482 4.2 42.5 1.0 N B:CYS495 4.3 41.4 1.0 CA B:CYS495 4.4 48.5 1.0 N B:ASP481 4.5 37.7 0.4 CA B:ASN480 4.5 43.1 1.0 N B:ASP481 4.6 36.2 0.6 N B:ASN480 4.6 36.3 1.0 O B:HOH51 4.7 54.1 1.0 O A:HOH74 4.7 39.9 1.0 N B:ALA477 4.7 32.5 1.0 CA B:CYS492 4.7 41.8 1.0 C B:CYS476 4.8 33.4 1.0 N B:GLY478 4.9 34.6 1.0 C B:ASN480 4.9 46.1 1.0 O B:CYS492 5.0 41.7 1.0

S.H.Meijsing, M.A.Pufall, A.Y.So, D.L.Bates, L.Chen, K.R.Yamamoto. Dna Binding Site Sequence Directs Glucocorticoid Receptor Structure and Activity. Science V. 324 407 2009.
ISSN: ISSN 0036-8075
PubMed: 19372434
DOI: 10.1126/SCIENCE.1164265