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Iron in PDB 1tco: Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus)

Enzymatic activity of Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus)

All present enzymatic activity of Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus):
3.1.3.16; 5.2.1.8;

Protein crystallography data

The structure of Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus), PDB code: 1tco was solved by J.P.Griffith, J.L.Kim, E.E.Kim, M.D.Sintchak, J.A.Thomson, M.J.Fitzgibbon, M.A.Fleming, P.R.Caron, K.Hsiao, M.A.Navia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.050, 94.430, 116.760, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 28.2

Other elements in 1tco:

The structure of Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus) also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus) (pdb code 1tco). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus), PDB code: 1tco:

Iron binding site 1 out of 1 in 1tco

Go back to Iron Binding Sites List in 1tco
Iron binding site 1 out of 1 in the Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ternary Complex of A Calcineurin A Fragment, Calcineurin B, FKBP12 and the Immunosuppressant Drug FK506 (Tacrolimus) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe506

b:34.0
occ:1.00
 OD2 A:ASP90 2.0 23.2 1.0
OD2 A:ASP118 2.3 21.4 1.0
NE2 A:HIS92 2.4 12.0 1.0
O2 A:PO4507 2.9 31.2 1.0
O1 A:PO4507 2.9 35.3 1.0
ZN A:ZN505 2.9 22.8 1.0
CG A:ASP90 3.2 20.2 1.0
CD2 A:HIS92 3.3 11.2 1.0
CE1 A:HIS92 3.3 14.6 1.0
P A:PO4507 3.3 36.8 1.0
CG A:ASP118 3.4 21.1 1.0
O4 A:PO4507 3.8 39.2 1.0
CB A:ASP118 3.9 17.8 1.0
OH A:TYR311 4.0 25.5 1.0
OD1 A:ASP90 4.1 22.4 1.0
CB A:ASP90 4.1 18.2 1.0
O A:HIS281 4.2 22.9 1.0
CD2 A:HIS151 4.4 16.0 1.0
O A:HOH870 4.4 47.1 1.0
ND1 A:HIS92 4.5 14.0 1.0
CG A:HIS92 4.5 11.3 1.0
OD1 A:ASP118 4.5 21.6 1.0
CE1 A:HIS199 4.5 10.8 1.0
NE2 A:HIS199 4.5 11.3 1.0
CA A:HIS281 4.5 20.8 1.0
C A:HIS281 4.6 21.9 1.0
CE1 A:PHE306 4.7 17.2 1.0
OD1 A:ASN150 4.7 19.6 1.0
NE2 A:HIS151 4.7 17.2 1.0
O3 A:PO4507 4.7 38.1 1.0
ND1 A:HIS281 4.7 24.6 1.0

Reference:

J.P.Griffith, J.L.Kim, E.E.Kim, M.D.Sintchak, J.A.Thomson, M.J.Fitzgibbon, M.A.Fleming, P.R.Caron, K.Hsiao, M.A.Navia. X-Ray Structure of Calcineurin Inhibited By the Immunophilin-Immunosuppressant FKBP12-FK506 Complex. Cell(Cambridge,Mass.) V. 82 507 1995.
ISSN: ISSN 0092-8674
PubMed: 7543369
DOI: 10.1016/0092-8674(95)90439-5
Page generated: Sat Aug 3 15:13:57 2024

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