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Zinc 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:

Iron (Fe) 2 atoms
Calcium (Ca) 8 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes, PDB code: 1m63:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1m63

Go back to Zinc Binding Sites List in 1m63
Zinc 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 Zinc with other atoms in the Zn 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:Zn504

b:52.0
occ:1.00
ND1 A:HIS281 2.2 56.1 1.0
OD1 A:ASN150 2.2 38.5 1.0
OD2 A:ASP118 2.3 48.6 1.0
NE2 A:HIS199 2.3 58.7 1.0
FE A:FE505 2.9 42.3 1.0
CE1 A:HIS281 3.0 58.6 1.0
CE1 A:HIS199 3.1 61.4 1.0
CG A:ASP118 3.2 48.0 1.0
CD2 A:HIS199 3.3 63.1 1.0
CG A:HIS281 3.4 53.2 1.0
CG A:ASN150 3.5 34.0 1.0
OD1 A:ASP118 3.5 49.1 1.0
CA A:HIS281 3.5 40.3 1.0
O A:HIS281 3.8 39.6 1.0
CB A:HIS281 3.8 43.3 1.0
OD1 A:ASP90 3.9 34.7 1.0
C A:HIS281 4.2 38.2 1.0
ND2 A:ASN150 4.2 30.0 1.0
NE2 A:HIS281 4.2 58.0 1.0
CD2 A:HIS151 4.3 33.8 1.0
ND1 A:HIS199 4.3 62.5 1.0
N A:HIS281 4.4 43.8 1.0
CD2 A:HIS281 4.4 54.6 1.0
CG A:HIS199 4.4 62.2 1.0
CB A:ASP118 4.5 43.4 1.0
CB A:ASN150 4.5 35.5 1.0
N A:ASN150 4.5 34.5 1.0
NE2 A:HIS92 4.7 35.1 1.0
CG A:ASP90 4.7 41.7 1.0
OD2 A:ASP90 4.8 53.2 1.0
NE2 A:HIS151 4.9 26.5 1.0

Zinc binding site 2 out of 2 in 1m63

Go back to Zinc Binding Sites List in 1m63
Zinc 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 Zinc with other atoms in the Zn 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:Zn504

b:46.8
occ:1.00
ND1 E:HIS281 2.2 44.2 1.0
OD1 E:ASN150 2.2 47.0 1.0
NE2 E:HIS199 2.3 51.8 1.0
OD2 E:ASP118 2.3 42.4 1.0
CE1 E:HIS281 3.1 49.0 1.0
CD2 E:HIS199 3.1 49.4 1.0
FE E:FE505 3.1 55.3 1.0
CG E:ASN150 3.3 49.1 1.0
CE1 E:HIS199 3.3 53.9 1.0
CA E:HIS281 3.3 37.2 1.0
CG E:HIS281 3.3 44.8 1.0
CG E:ASP118 3.3 39.3 1.0
O E:HIS281 3.6 37.6 1.0
CB E:HIS281 3.8 42.6 1.0
ND2 E:ASN150 3.8 48.7 1.0
OD1 E:ASP118 3.8 38.6 1.0
OD1 E:ASP90 3.9 38.9 1.0
C E:HIS281 3.9 37.8 1.0
NE2 E:HIS281 4.3 47.6 1.0
CG E:HIS199 4.3 47.7 1.0
N E:HIS281 4.3 33.5 1.0
ND1 E:HIS199 4.4 51.5 1.0
CD2 E:HIS151 4.4 53.1 1.0
CD2 E:HIS281 4.4 46.0 1.0
CB E:ASN150 4.5 48.9 1.0
NH2 E:ARG254 4.5 64.7 1.0
CB E:ASP118 4.6 41.2 1.0
N E:ASN150 4.6 48.0 1.0
O E:LEU231 4.8 48.2 1.0
CG E:ASP90 4.8 37.0 1.0
OD2 E:ASP90 4.9 38.1 1.0
NE2 E:HIS151 5.0 54.9 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: Wed Dec 16 02:56:58 2020

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