Atomistry » Calcium » PDB 1lu1-1m8v » 1m63
Atomistry »
  Calcium »
    PDB 1lu1-1m8v »
      1m63 »

Calcium 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
Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes, PDB code: 1m63:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 1 out of 8 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 Calcium with other atoms in the Ca 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
B:Ca500

b:0.0
occ:1.00
 OD1 B:ASP32 2.4 97.8 1.0
OD1 B:ASP30 2.4 0.0 1.0
OE1 B:GLU41 2.4 0.0 1.0
O B:SER36 2.4 0.0 1.0
OG B:SER34 2.5 0.0 1.0
OE2 B:GLU41 3.1 0.0 1.0
CD B:GLU41 3.2 0.0 1.0
C B:SER36 3.3 0.0 1.0
CG B:ASP32 3.4 97.5 1.0
CG B:ASP30 3.6 0.0 1.0
N B:GLY35 3.7 0.0 1.0
N B:SER34 3.8 0.0 1.0
CB B:SER34 3.8 99.0 1.0
N B:SER36 3.8 0.0 1.0
OD2 B:ASP32 3.9 95.4 1.0
N B:LEU37 4.1 0.0 1.0
CA B:SER36 4.2 0.0 1.0
CA B:SER34 4.2 0.0 1.0
C B:GLY35 4.2 0.0 1.0
CA B:LEU37 4.3 99.1 1.0
N B:ASP32 4.3 0.0 1.0
N B:ASN33 4.4 0.0 1.0
CA B:ASP30 4.4 98.8 1.0
C B:SER34 4.5 0.0 1.0
CB B:ASP30 4.5 0.0 1.0
OD2 B:ASP30 4.5 0.0 1.0
N B:LEU31 4.5 97.3 1.0
CA B:GLY35 4.6 0.0 1.0
OG B:SER36 4.6 0.0 1.0
CG B:GLU41 4.6 0.0 1.0
CB B:ASP32 4.6 99.0 1.0
C B:ASP32 4.7 99.9 1.0
C B:ASN33 4.7 0.0 1.0
C B:ASP30 4.7 97.0 1.0
O B:GLY35 4.8 0.0 1.0
CA B:ASP32 4.8 99.6 1.0
CA B:ASN33 4.9 0.0 1.0

Calcium binding site 2 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 2 out of 8 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 Calcium with other atoms in the Ca 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
B:Ca501

b:94.6
occ:1.00
 OE1 B:GLU73 2.3 88.4 1.0
OD1 B:ASN66 2.4 92.0 1.0
OD1 B:ASP62 2.4 98.8 1.0
O B:GLU68 2.4 90.0 1.0
OD1 B:ASP64 2.4 0.0 1.0
OD2 B:ASP70 2.5 0.0 1.0
OE2 B:GLU73 2.7 88.0 1.0
CD B:GLU73 2.8 91.0 1.0
CG B:ASN66 3.3 95.3 1.0
CG B:ASP64 3.3 0.0 1.0
OD2 B:ASP64 3.5 0.0 1.0
ND2 B:ASN66 3.6 96.7 1.0
C B:GLU68 3.6 91.4 1.0
CG B:ASP62 3.6 95.7 1.0
CG B:ASP70 3.7 0.0 1.0
CA B:VAL69 3.9 96.3 1.0
N B:ASP70 4.0 97.3 1.0
N B:VAL69 4.2 93.0 1.0
CG B:GLU73 4.2 93.5 1.0
C B:VAL69 4.3 97.6 1.0
OD2 B:ASP62 4.4 97.5 1.0
OD1 B:ASP70 4.5 0.0 1.0
CA B:ASP62 4.6 92.6 1.0
CB B:ASP62 4.6 93.1 1.0
CB B:ASN66 4.6 96.4 1.0
CB B:ASP64 4.6 0.0 1.0
CB B:ASP70 4.7 98.1 1.0
CA B:GLU68 4.8 93.2 1.0
N B:GLU68 4.9 94.6 1.0
CB B:GLU73 4.9 96.7 1.0
N B:ASP64 4.9 0.0 1.0
CA B:ASP70 5.0 96.7 1.0

Calcium binding site 3 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 3 out of 8 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 Calcium with other atoms in the Ca binding site number 3 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
B:Ca502

b:58.8
occ:1.00
 OD1 B:ASP99 2.3 59.2 1.0
OE2 B:GLU110 2.4 58.6 1.0
OE1 B:GLU110 2.4 58.5 1.0
OD1 B:ASP101 2.4 62.2 1.0
O B:TYR105 2.4 54.5 1.0
OD1 B:ASP103 2.4 66.5 1.0
CD B:GLU110 2.7 54.5 1.0
CG B:ASP101 3.3 63.1 1.0
CG B:ASP99 3.4 61.0 1.0
C B:TYR105 3.6 52.9 1.0
CG B:ASP103 3.6 64.5 1.0
N B:ASP101 3.7 62.5 1.0
CA B:ASP99 3.7 58.5 1.0
OD2 B:ASP101 3.8 65.1 1.0
N B:MET100 3.8 57.1 1.0
C B:ASP99 3.9 58.2 1.0
CB B:ASP99 4.1 61.0 1.0
N B:LYS102 4.1 63.8 1.0
CG B:GLU110 4.2 47.8 1.0
N B:ASP103 4.2 61.7 1.0
OD2 B:ASP103 4.2 66.3 1.0
CA B:ASP101 4.3 62.9 1.0
OD2 B:ASP99 4.3 58.6 1.0
C B:ASP101 4.3 64.3 1.0
CA B:ILE106 4.3 40.7 1.0
CB B:ASP101 4.4 61.5 1.0
N B:ILE106 4.4 46.2 1.0
N B:TYR105 4.5 51.8 1.0
C B:MET100 4.6 58.3 1.0
CA B:TYR105 4.6 53.5 1.0
CA B:MET100 4.7 57.3 1.0
O B:ASP99 4.7 62.7 1.0
CB B:ASP103 4.8 61.5 1.0
CA B:LYS102 4.9 63.1 1.0
N B:SER107 4.9 36.4 1.0
CB B:GLU110 4.9 42.7 1.0
CA B:ASP103 4.9 59.4 1.0

Calcium binding site 4 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 4 out of 8 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 Calcium with other atoms in the Ca binding site number 4 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
B:Ca503

b:46.6
occ:1.00
 OE2 B:GLU151 2.0 73.4 1.0
OD1 B:ASP142 2.3 54.0 1.0
OD1 B:ASP140 2.3 36.5 1.0
OD1 B:ASP144 2.4 48.0 1.0
O B:ARG146 2.5 49.5 1.0
OE1 B:GLU151 2.5 62.7 1.0
CD B:GLU151 2.6 69.9 1.0
OD2 B:ASP142 2.9 47.5 1.0
CG B:ASP142 3.0 52.1 1.0
CG B:ASP144 3.3 45.8 1.0
OD2 B:ASP144 3.4 44.4 1.0
CG B:ASP140 3.5 42.3 1.0
C B:ARG146 3.6 47.4 1.0
CA B:ILE147 4.0 41.5 1.0
CG B:GLU151 4.1 67.1 1.0
N B:SER148 4.1 43.9 1.0
OD2 B:ASP140 4.2 40.1 1.0
N B:ILE147 4.2 43.1 1.0
CB B:ASP142 4.4 51.7 1.0
C B:ILE147 4.5 43.1 1.0
CB B:ASP140 4.5 47.4 1.0
CA B:ASP140 4.6 52.6 1.0
N B:ASP142 4.7 54.4 1.0
CB B:ASP144 4.7 47.2 1.0
CA B:ARG146 4.7 49.9 1.0
CG B:ARG146 4.7 64.3 1.0
N B:ARG146 4.7 49.6 1.0
N B:ASP144 4.8 44.6 1.0
CB B:GLU151 4.9 65.6 1.0
CB B:SER148 4.9 47.3 1.0
CE1 B:TYR105 4.9 64.3 1.0
OG B:SER148 4.9 44.0 1.0
N B:LYS141 5.0 53.6 1.0

Calcium binding site 5 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 5 out of 8 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 Calcium with other atoms in the Ca binding site number 5 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
F:Ca500

b:95.4
occ:1.00
 OD1 F:ASP30 2.4 98.6 1.0
O F:SER36 2.4 97.1 1.0
OD1 F:ASP32 2.4 0.0 1.0
OG F:SER34 2.4 94.7 1.0
OE1 F:GLU41 2.5 98.5 1.0
CD F:GLU41 3.2 100.0 1.0
OE2 F:GLU41 3.3 100.0 1.0
C F:SER36 3.4 97.8 1.0
CG F:ASP32 3.5 0.0 1.0
CG F:ASP30 3.6 0.0 1.0
CB F:SER34 3.8 96.8 1.0
OD2 F:ASP32 3.9 98.8 1.0
N F:SER36 4.0 99.3 1.0
N F:SER34 4.1 98.9 1.0
N F:LEU37 4.1 99.2 1.0
CA F:LEU37 4.3 99.2 1.0
CA F:SER36 4.3 97.6 1.0
OD2 F:ASP30 4.3 0.0 1.0
N F:GLY35 4.4 98.2 1.0
CA F:SER34 4.5 98.1 1.0
OE2 F:GLU68 4.5 99.8 1.0
CB F:ASP30 4.6 99.6 1.0
CA F:ASP30 4.6 99.9 1.0
OG F:SER36 4.7 99.1 1.0
N F:ASN33 4.7 99.2 1.0
CG F:GLU41 4.7 99.7 1.0
N F:SER38 4.7 98.5 1.0
N F:ASP32 4.8 0.0 1.0
CB F:ASP32 4.8 0.0 1.0
C F:SER34 4.9 98.0 1.0
CD1 F:LEU37 5.0 90.9 1.0

Calcium binding site 6 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 6 out of 8 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 Calcium with other atoms in the Ca binding site number 6 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
F:Ca501

b:93.7
occ:1.00
 O F:GLU68 2.4 87.7 1.0
OD1 F:ASN66 2.4 89.2 1.0
OE1 F:GLU73 2.4 88.8 1.0
OD1 F:ASP62 2.4 0.0 1.0
OD1 F:ASP64 2.4 94.7 1.0
OD2 F:ASP70 2.5 98.5 1.0
OE2 F:GLU73 2.8 91.2 1.0
CD F:GLU73 2.9 90.4 1.0
CG F:ASP64 3.4 95.0 1.0
CG F:ASN66 3.5 88.7 1.0
OD2 F:ASP64 3.6 95.9 1.0
C F:GLU68 3.6 88.9 1.0
CG F:ASP62 3.7 0.0 1.0
CG F:ASP70 3.7 97.0 1.0
ND2 F:ASN66 3.9 88.1 1.0
N F:ASP70 4.1 91.8 1.0
CA F:VAL69 4.3 88.4 1.0
OD2 F:ASP62 4.3 0.0 1.0
N F:VAL69 4.4 89.2 1.0
CG F:GLU73 4.4 91.3 1.0
OD1 F:ASP70 4.4 99.0 1.0
CA F:GLU68 4.6 89.9 1.0
N F:GLU68 4.7 90.3 1.0
C F:VAL69 4.7 88.4 1.0
N F:ASN66 4.7 91.2 1.0
CB F:ASP70 4.8 95.2 1.0
CB F:ASP64 4.8 94.9 1.0
CB F:ASP62 4.8 0.0 1.0
CA F:ASP62 4.8 0.0 1.0
CB F:ASN66 4.8 89.5 1.0
N F:GLY65 4.8 93.1 1.0
N F:ASP64 5.0 97.3 1.0

Calcium binding site 7 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 7 out of 8 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 Calcium with other atoms in the Ca binding site number 7 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
F:Ca502

b:97.2
occ:1.00
 OD1 F:ASP103 2.4 97.4 1.0
OD1 F:ASP101 2.4 98.8 1.0
O F:TYR105 2.4 99.0 1.0
OD1 F:ASP99 2.4 91.3 1.0
OE1 F:GLU110 2.4 99.0 1.0
OD2 F:ASP103 2.9 93.5 1.0
CG F:ASP103 2.9 96.9 1.0
CG F:ASP99 3.2 93.2 1.0
CG F:ASP101 3.3 0.0 1.0
OD2 F:ASP99 3.4 95.7 1.0
CD F:GLU110 3.4 0.0 1.0
OD2 F:ASP101 3.4 0.0 1.0
C F:TYR105 3.5 99.8 1.0
OE2 F:GLU110 4.0 100.0 1.0
N F:ASP103 4.3 99.1 1.0
CB F:ASP103 4.3 97.4 1.0
N F:SER107 4.3 99.9 1.0
N F:ILE106 4.3 0.0 1.0
CA F:ILE106 4.3 99.6 1.0
N F:TYR105 4.3 0.0 1.0
CG F:GLU110 4.4 0.0 1.0
CA F:TYR105 4.4 0.0 1.0
OG F:SER107 4.5 97.0 1.0
CB F:ASP99 4.6 93.3 1.0
CA F:ASP103 4.7 98.1 1.0
CB F:ASP101 4.7 99.8 1.0
C F:ILE106 4.8 100.0 1.0
N F:LYS102 4.9 0.0 1.0
N F:ASP101 4.9 0.0 1.0
CB F:TYR105 4.9 99.7 1.0
CA F:ASP99 4.9 94.6 1.0
C F:ASP103 5.0 98.8 1.0

Calcium binding site 8 out of 8 in 1m63

Go back to Calcium Binding Sites List in 1m63
Calcium binding site 8 out of 8 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 Calcium with other atoms in the Ca binding site number 8 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
F:Ca503

b:99.0
occ:1.00
 OE2 F:GLU151 1.9 90.1 1.0
OE1 F:GLU151 2.4 92.8 1.0
CD F:GLU151 2.4 91.5 1.0
O F:ARG146 2.4 95.3 1.0
OD1 F:ASP144 2.4 0.0 1.0
OD1 F:ASP140 2.4 0.0 1.0
OD1 F:ASP142 2.5 0.0 1.0
CG F:ASP144 3.1 0.0 1.0
OD2 F:ASP144 3.1 99.5 1.0
CG F:ASP142 3.6 99.9 1.0
CG F:ASP140 3.6 99.7 1.0
C F:ARG146 3.6 96.5 1.0
OD2 F:ASP142 3.9 97.8 1.0
CG F:GLU151 3.9 91.0 1.0
CA F:ILE147 3.9 97.9 1.0
N F:SER148 4.0 99.7 1.0
N F:ILE147 4.2 96.3 1.0
OD2 F:ASP140 4.2 97.1 1.0
CB F:ASP144 4.5 0.0 1.0
C F:ILE147 4.5 99.5 1.0
OG F:SER148 4.6 93.3 1.0
CB F:ASP140 4.6 0.0 1.0
CG1 F:ILE147 4.7 97.4 1.0
CB F:GLU151 4.7 89.6 1.0
CA F:ASP140 4.7 0.0 1.0
N F:ARG146 4.8 0.0 1.0
CA F:ARG146 4.8 98.1 1.0
N F:ASP144 4.8 94.9 1.0
CB F:SER148 4.8 96.6 1.0
CB F:ASP142 4.9 99.7 1.0
CB F:ILE147 4.9 97.0 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 Dec 12 03:06:38 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy