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Iron in PDB 5b8i: Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs

Enzymatic activity of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs

All present enzymatic activity of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs, PDB code: 5b8i was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), D.Fox Iii, D.M.Dranow, D.D.Lorimer, T.E.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.27 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.670, 154.630, 64.750, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 17.2

Other elements in 5b8i:

The structure of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs 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 Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs (pdb code 5b8i). 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 Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs, PDB code: 5b8i:

Iron binding site 1 out of 1 in 5b8i

Go back to Iron Binding Sites List in 5b8i
Iron binding site 1 out of 1 in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:15.2
occ:0.51
 O A:HOH851 2.0 26.5 1.0
O A:HOH852 2.0 24.9 1.0
OD2 A:ASP108 2.1 21.0 1.0
O1S A:MES403 2.1 24.3 0.7
NE2 A:HIS110 2.1 12.6 1.0
OD2 A:ASP136 2.2 11.7 1.0
CE1 A:HIS110 3.0 15.9 1.0
CD2 A:HIS110 3.2 14.1 1.0
ZN A:ZN401 3.2 19.6 0.7
CG A:ASP136 3.3 15.9 1.0
CG A:ASP108 3.3 15.0 1.0
S A:MES403 3.4 25.8 0.7
O3S A:MES403 3.7 23.3 0.7
N4 A:MES403 3.7 29.9 0.7
C7 A:MES403 3.8 20.6 0.7
CB A:ASP136 3.8 11.0 1.0
C8 A:MES403 4.0 21.9 0.7
CB A:ASP108 4.1 10.2 1.0
OD1 A:ASP108 4.1 14.4 1.0
ND1 A:HIS110 4.2 14.3 1.0
CD2 A:HIS169 4.3 12.7 1.0
CG A:HIS110 4.3 14.4 1.0
OD1 A:ASP136 4.4 13.2 1.0
O A:HOH627 4.4 24.9 1.0
NE2 A:HIS169 4.4 15.6 1.0
O A:HIS299 4.4 15.6 1.0
O2S A:MES403 4.5 21.9 0.7
NE2 A:HIS217 4.6 11.9 1.0
CE1 A:HIS217 4.6 11.2 1.0
CA A:HIS299 4.6 13.9 1.0
CE1 A:PHE324 4.6 14.7 1.0
OH A:TYR329 4.6 24.5 1.0
OD1 A:ASN168 4.8 13.8 1.0
C A:HIS299 4.8 13.7 1.0
ND1 A:HIS299 4.9 13.1 1.0

Reference:

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), D.Fox Iii, D.M.Dranow, D.D.Lorimer, T.E.Edwards. Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs To Be Published.
Page generated: Sun Dec 13 15:57:00 2020

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