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Iron in PDB 1m63: Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes

Enzymatic activity of Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes

All present enzymatic activity of Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes:
3.1.3.16; 5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes, PDB code: 1m63 was solved by Q.Huai, H.-Y.Kim, Y.Liu, Y.Zhao, A.Mondragon, J.O.Liu, H.Ke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 108.657, 108.657, 316.590, 90.00, 90.00, 90.00
R / Rfree (%) 26 / 32.2

Other elements in 1m63:

The structure of Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes also contains other interesting chemical elements:

Calcium (Ca) 8 atoms
Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes (pdb code 1m63). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes, PDB code: 1m63:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1m63

Go back to Iron Binding Sites List in 1m63
Iron binding site 1 out of 2 in the Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes


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-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe505

b:42.3
occ:1.00
OD1 A:ASP90 2.2 34.7 1.0
NE2 A:HIS92 2.3 35.1 1.0
OD2 A:ASP118 2.3 48.6 1.0
ZN A:ZN504 2.9 52.0 1.0
CE1 A:HIS92 3.2 32.2 1.0
CD2 A:HIS92 3.3 31.0 1.0
CG A:ASP118 3.5 48.0 1.0
CG A:ASP90 3.5 41.7 1.0
O A:HIS281 3.6 39.6 1.0
NH2 A:ARG122 3.9 47.4 1.0
OH A:TYR311 4.1 39.9 1.0
CB A:ASP118 4.1 43.4 1.0
OD2 A:ASP90 4.2 53.2 1.0
ND1 A:HIS92 4.3 30.2 1.0
C A:HIS281 4.4 38.2 1.0
OD1 A:ASP118 4.4 49.1 1.0
CG A:HIS92 4.4 27.9 1.0
CA A:HIS281 4.4 40.3 1.0
CD2 A:HIS151 4.5 33.8 1.0
ND1 A:HIS281 4.5 56.1 1.0
CB A:ASP90 4.5 37.7 1.0
NE2 A:HIS151 4.6 26.5 1.0
NE2 A:HIS199 4.6 58.7 1.0
OD1 A:ASN150 4.7 38.5 1.0
CE1 A:PHE306 4.8 37.3 1.0
CE1 A:HIS199 4.8 61.4 1.0

Iron binding site 2 out of 2 in 1m63

Go back to Iron Binding Sites List in 1m63
Iron binding site 2 out of 2 in the Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe505

b:55.3
occ:1.00
OD1 E:ASP90 2.2 38.9 1.0
NE2 E:HIS92 2.3 35.2 1.0
OD2 E:ASP118 2.3 42.4 1.0
CD2 E:HIS92 3.0 30.4 1.0
ZN E:ZN504 3.1 46.8 1.0
CG E:ASP118 3.2 39.3 1.0
CG E:ASP90 3.3 37.0 1.0
CE1 E:HIS92 3.3 31.8 1.0
CB E:ASP118 3.6 41.2 1.0
O E:HIS281 3.7 37.6 1.0
CB E:ASP90 4.1 36.3 1.0
CG E:HIS92 4.2 30.0 1.0
OD2 E:ASP90 4.2 38.1 1.0
CD2 E:HIS151 4.3 53.1 1.0
ND1 E:HIS92 4.3 29.4 1.0
OD1 E:ASP118 4.4 38.6 1.0
NE2 E:HIS199 4.4 51.8 1.0
NE2 E:HIS151 4.5 54.9 1.0
C E:HIS281 4.5 37.8 1.0
OH E:TYR311 4.6 38.5 1.0
CA E:HIS281 4.6 37.2 1.0
OD1 E:ASN150 4.6 47.0 1.0
CE1 E:HIS199 4.7 53.9 1.0
CE1 E:PHE306 4.8 28.4 1.0
ND1 E:HIS281 5.0 44.2 1.0

Reference:

Q.Huai, H.-Y.Kim, Y.Liu, Y.Zhao, A.Mondragon, J.O.Liu, H.Ke. Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes Proc.Natl.Acad.Sci.Usa V. 99 12037 2002.
ISSN: ISSN 0027-8424
PubMed: 12218175
DOI: 10.1073/PNAS.192206699
Page generated: Sat Aug 3 10:03:10 2024

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