Calcium in PDB 1mf8: Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin

All present enzymatic activity of Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin:
3.1.3.16; 5.2.1.8;

The structure of Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin, PDB code: 1mf8 was solved by L.Jin, S.C.Harrison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.949, 108.334, 112.841, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 30

The binding sites of Calcium atom in the Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin (pdb code 1mf8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin, PDB code: 1mf8:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:91.3 occ:1.00 OD1 B:ASP30 2.1 96.8 1.0 OD1 B:ASP32 2.2 0.3 1.0 OE1 B:GLU41 2.4 0.3 1.0 OE2 B:GLU41 2.4 0.8 1.0 O B:SER36 2.6 98.8 1.0 CD B:GLU41 2.7 0.2 1.0 OG B:SER34 3.1 98.4 1.0 CG B:ASP32 3.3 0.2 1.0 CG B:ASP30 3.3 99.2 1.0 C B:SER36 3.7 98.0 1.0 OD2 B:ASP32 3.8 0.0 1.0 N B:SER34 3.9 99.9 1.0 CA B:ASP30 3.9 0.3 1.0 N B:ASP32 4.0 0.0 1.0 N B:LEU31 4.1 0.7 1.0 OD2 B:ASP30 4.1 99.9 1.0 CB B:SER34 4.2 99.1 1.0 C B:ASP30 4.2 0.3 1.0 CB B:ASP30 4.2 0.2 1.0 CG B:GLU41 4.3 0.7 1.0 N B:ASN33 4.3 0.1 1.0 N B:SER36 4.4 98.6 1.0 CA B:LEU37 4.4 97.3 1.0 CA B:SER34 4.5 99.4 1.0 N B:LEU37 4.5 97.5 1.0 CB B:ASP32 4.5 0.2 1.0 C B:ASP32 4.6 0.7 1.0 N B:SER38 4.6 99.3 1.0 CA B:ASP32 4.6 0.5 1.0 CA B:SER36 4.7 97.8 1.0 N B:GLY35 4.8 99.5 1.0 CD1 B:LEU37 4.9 94.7 1.0 C B:ASN33 4.9 0.5 1.0 C B:LEU31 4.9 0.3 1.0 C B:SER34 4.9 99.5 1.0 CA B:ASN33 4.9 0.1 1.0 CA B:LEU31 5.0 0.9 1.0 O B:ASP30 5.0 0.1 1.0 C B:LEU37 5.0 97.9 1.0 OG B:SER36 5.0 97.4 0.0

Calcium binding site 2 out of 4 in the Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:77.5 occ:1.00 OD1 B:ASP64 2.1 0.2 1.0 OE1 B:GLU73 2.3 81.3 1.0 OE2 B:GLU73 2.3 80.3 1.0 O B:GLU68 2.4 86.3 1.0 OD1 B:ASN66 2.4 0.4 1.0 OD1 B:ASP62 2.5 95.5 1.0 CD B:GLU73 2.6 79.7 1.0 CG B:ASP64 3.2 99.5 1.0 C B:GLU68 3.6 87.9 1.0 CG B:ASN66 3.6 99.7 1.0 CG B:ASP62 3.7 95.8 1.0 OD2 B:ASP64 3.7 0.6 1.0 CG B:GLU73 4.1 77.7 1.0 N B:ASP64 4.2 94.7 1.0 OD2 B:ASP70 4.2 86.9 1.0 CA B:ASP62 4.3 93.1 1.0 N B:ASN66 4.3 96.4 1.0 N B:GLU68 4.4 90.9 1.0 N B:VAL69 4.4 86.4 1.0 CA B:VAL69 4.4 84.7 1.0 ND2 B:ASN66 4.4 0.3 1.0 CB B:ASP62 4.5 94.5 1.0 CB B:ASN66 4.5 97.9 1.0 CB B:ASP64 4.5 96.7 1.0 CA B:GLU68 4.5 90.6 1.0 N B:ASP70 4.6 83.2 1.0 N B:THR63 4.6 91.9 1.0 C B:ASP62 4.6 92.2 1.0 OD2 B:ASP62 4.6 96.4 1.0 CA B:ASP64 4.7 95.2 1.0 N B:GLY65 4.7 95.4 1.0 C B:ASP64 4.7 95.4 1.0 CA B:ASN66 4.9 96.3 1.0 CB B:GLU73 5.0 76.5 1.0 CG B:ASP70 5.0 87.5 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:76.1 occ:1.00 OE1 B:GLU110 2.1 78.8 1.0 OD1 B:ASP99 2.3 81.5 1.0 OD1 B:ASP103 2.3 95.8 1.0 OE2 B:GLU110 2.6 75.1 1.0 CD B:GLU110 2.6 77.6 1.0 OD1 B:ASP101 2.6 96.3 1.0 O B:TYR105 2.7 85.6 1.0 OD2 B:ASP101 2.8 98.1 1.0 CG B:ASP101 2.9 95.5 1.0 CG B:ASP99 3.4 83.1 1.0 CG B:ASP103 3.4 95.3 1.0 N B:ASP101 3.8 89.5 1.0 C B:TYR105 3.9 84.9 1.0 OD2 B:ASP103 4.0 96.1 1.0 CG B:GLU110 4.1 76.5 1.0 N B:MET100 4.1 85.8 1.0 OD2 B:ASP99 4.1 82.7 1.0 CB B:ASP101 4.1 93.2 1.0 CA B:ASP99 4.1 82.4 1.0 N B:ASP103 4.3 90.5 1.0 CA B:ASP101 4.3 90.1 1.0 CB B:ASP99 4.3 83.2 1.0 N B:LYS102 4.3 88.3 1.0 C B:ASP99 4.3 84.2 1.0 C B:ASP101 4.4 89.2 1.0 CB B:ASP103 4.5 92.8 1.0 OG B:SER107 4.6 85.0 1.0 N B:TYR105 4.6 85.3 1.0 N B:SER107 4.7 83.0 1.0 CA B:TYR105 4.8 85.3 1.0 C B:MET100 4.8 88.7 1.0 CA B:ILE106 4.8 82.8 1.0 N B:ILE106 4.9 83.8 1.0 CB B:GLU110 4.9 75.2 1.0 CA B:MET100 4.9 86.9 1.0 CA B:ASP103 5.0 90.5 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:91.5 occ:1.00 OD1 B:ASP142 1.9 0.7 1.0 OD1 B:ASP144 2.0 95.4 1.0 O B:ARG146 2.2 93.3 1.0 OD1 B:ASP140 2.4 89.3 1.0 OE1 B:GLU151 2.5 96.3 1.0 OE2 B:GLU151 2.6 92.1 1.0 CD B:GLU151 2.9 93.6 1.0 CG B:ASP142 2.9 0.8 1.0 CG B:ASP144 3.1 96.0 1.0 OD2 B:ASP142 3.4 0.5 1.0 C B:ARG146 3.5 93.6 1.0 CG B:ASP140 3.5 90.4 1.0 OD2 B:ASP144 3.6 96.6 1.0 CA B:ASP140 4.0 90.4 1.0 N B:ASP144 4.0 97.3 1.0 N B:ARG146 4.1 95.5 1.0 CB B:ASP140 4.1 90.2 1.0 CB B:ASP142 4.2 0.7 1.0 N B:ASP142 4.2 97.3 1.0 CB B:ASP144 4.3 95.8 1.0 N B:ILE147 4.3 92.2 1.0 C B:ASP140 4.3 90.5 1.0 CA B:ILE147 4.4 90.5 1.0 CG B:GLU151 4.4 93.1 1.0 CA B:ARG146 4.4 94.8 1.0 N B:GLY143 4.4 98.3 1.0 CA B:ASP144 4.5 96.2 1.0 N B:SER148 4.6 90.1 1.0 OD2 B:ASP140 4.6 90.7 1.0 N B:LYS141 4.6 91.8 1.0 CA B:ASP142 4.6 99.0 1.0 N B:GLY145 4.7 95.8 1.0 C B:ASP142 4.8 98.4 1.0 C B:ASP144 4.8 96.1 1.0 CG B:ARG146 4.8 98.4 1.0 C B:ILE147 4.9 89.5 1.0 O B:ASP140 4.9 89.5 1.0 CD1 B:ILE147 5.0 92.5 1.0

L.Jin, S.C.Harrison. Crystal Structure of Human Calcineurin Complexed with Cyclosporin A and Human Cyclophilin Proc.Natl.Acad.Sci.Usa V. 99 13522 2002.
ISSN: ISSN 0027-8424
PubMed: 12357034
DOI: 10.1073/PNAS.212504399