Atomistry » Calcium » PDB 5b4y-5bx5 » 5b8i
Atomistry »
  Calcium »
    PDB 5b4y-5bx5 »
      5b8i »

Calcium 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:

Iron (Fe) 1 atom
Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs, PDB code: 5b8i:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 5b8i

Go back to Calcium Binding Sites List in 5b8i
Calcium binding site 1 out of 4 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 Calcium with other atoms in the Ca 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
B:Ca201

b:20.8
occ:1.00
 OD1 B:ASP31 2.4 17.5 1.0
OE2 B:GLU39 2.4 21.6 1.0
OD1 B:ASP33 2.4 23.0 1.0
O B:THR37 2.4 21.4 1.0
OG B:SER35 2.5 21.7 1.0
OE2 B:GLU42 2.5 20.2 1.0
OE1 B:GLU42 2.6 23.9 1.0
CD B:GLU42 2.9 22.0 1.0
CD B:GLU39 3.3 31.1 1.0
CG B:ASP33 3.4 27.4 1.0
CG B:ASP31 3.5 21.6 1.0
OE1 B:GLU39 3.6 37.6 1.0
CB B:SER35 3.6 24.9 1.0
C B:THR37 3.6 18.9 1.0
OD2 B:ASP33 3.9 29.4 1.0
N B:SER35 4.0 23.3 1.0
CA B:ASP31 4.1 20.3 1.0
N B:GLU39 4.3 21.8 1.0
N B:ASP33 4.3 26.1 1.0
CB B:ASP31 4.3 20.0 1.0
O B:HOH319 4.3 36.2 1.0
CG B:GLU42 4.3 21.1 1.0
CA B:ILE38 4.3 21.2 0.5
C B:ASP31 4.3 26.7 1.0
CA B:SER35 4.4 23.3 1.0
N B:THR37 4.4 17.8 1.0
CA B:ILE38 4.4 21.4 0.5
OD2 B:ASP31 4.4 20.2 1.0
N B:ILE38 4.5 18.0 1.0
OG1 B:THR37 4.5 26.6 1.0
CA B:THR37 4.6 16.5 1.0
N B:LYS34 4.6 25.4 1.0
CB B:ASP33 4.6 30.4 1.0
N B:ARG32 4.6 25.8 1.0
CG B:GLU39 4.7 27.5 1.0
CA B:ASP33 4.8 29.6 1.0
C B:ILE38 4.8 22.0 1.0
C B:ASP33 4.8 29.5 1.0
N B:GLY36 4.8 17.8 1.0
O B:ASP31 4.9 27.9 1.0
O B:HOH317 4.9 29.3 1.0
C B:SER35 4.9 20.0 1.0
CB B:GLU39 5.0 28.1 1.0

Calcium binding site 2 out of 4 in 5b8i

Go back to Calcium Binding Sites List in 5b8i
Calcium binding site 2 out of 4 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 Calcium with other atoms in the Ca binding site number 2 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
B:Ca202

b:21.1
occ:1.00
 O B:ASP69 2.3 19.9 1.0
OD1 B:ASP63 2.3 22.8 1.0
O B:HOH359 2.4 29.1 1.0
OD1 B:ASP65 2.4 28.1 1.0
OE2 B:GLU74 2.4 22.5 1.0
O B:HOH351 2.4 24.7 1.0
OE1 B:GLU74 2.5 24.3 1.0
CD B:GLU74 2.8 24.1 1.0
CG B:ASP65 3.4 32.4 1.0
CG B:ASP63 3.4 24.8 1.0
C B:ASP69 3.5 19.7 1.0
OD2 B:ASP65 3.8 34.1 1.0
OD1 B:ASP69 4.1 35.8 1.0
N B:GLY67 4.1 27.8 1.0
O B:HOH365 4.2 32.2 1.0
OD2 B:ASP63 4.2 23.6 1.0
CA B:ASP63 4.2 21.9 1.0
N B:ASP69 4.3 23.0 1.0
N B:ASP65 4.3 27.2 1.0
CG B:GLU74 4.3 21.3 1.0
CB B:ASP63 4.3 20.9 1.0
CA B:VAL70 4.4 18.1 1.0
N B:VAL70 4.4 17.5 1.0
C B:ASP63 4.4 23.9 1.0
CA B:ASP69 4.5 19.0 1.0
CB B:ASP65 4.5 33.4 1.0
CA B:GLY67 4.5 29.6 1.0
O B:HOH396 4.5 32.5 1.0
N B:GLY66 4.6 28.4 1.0
N B:GLY68 4.6 23.3 1.0
N B:GLU64 4.6 23.2 1.0
N B:ASP71 4.7 22.1 1.0
CA B:ASP65 4.8 34.0 1.0
O B:HOH380 4.8 37.4 1.0
C B:GLY67 4.9 29.7 1.0
C B:ASP65 4.9 34.8 1.0
O B:ASP63 4.9 24.5 1.0

Calcium binding site 3 out of 4 in 5b8i

Go back to Calcium Binding Sites List in 5b8i
Calcium binding site 3 out of 4 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 Calcium with other atoms in the Ca binding site number 3 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
B:Ca203

b:26.3
occ:1.00
 O B:PHE106 2.3 30.4 1.0
OE1 B:GLU111 2.3 28.2 1.0
OD1 B:ASP100 2.3 28.4 1.0
O B:HOH358 2.4 33.4 1.0
OD1 B:ASP102 2.4 28.0 1.0
OD1 B:ASP104 2.5 32.9 1.0
OE2 B:GLU111 2.5 25.0 1.0
CD B:GLU111 2.8 26.6 1.0
CG B:ASP104 3.3 36.5 1.0
CG B:ASP102 3.3 39.5 1.0
CG B:ASP100 3.5 28.0 1.0
C B:PHE106 3.5 26.5 1.0
OD2 B:ASP102 3.8 43.8 1.0
OD2 B:ASP104 3.8 36.8 1.0
N B:ASP102 4.1 27.4 1.0
N B:ASP104 4.2 33.7 1.0
OD2 B:ASP100 4.2 26.9 1.0
N B:PHE106 4.2 26.5 1.0
CG B:GLU111 4.3 27.4 1.0
CA B:PHE106 4.4 26.9 1.0
CA B:ASP100 4.4 26.1 1.0
CB B:ASP104 4.4 32.7 1.0
CB B:ASP100 4.4 24.2 1.0
N B:ILE107 4.4 23.2 1.0
N B:SER108 4.4 24.0 1.0
CA B:ILE107 4.5 20.4 1.0
CB B:ASP102 4.5 35.8 1.0
C B:ASP100 4.5 28.5 1.0
N B:ARG103 4.5 30.6 1.0
CA B:ASP102 4.6 33.5 1.0
N B:ILE101 4.7 25.0 1.0
O B:HOH472 4.7 54.5 1.0
CA B:ASP104 4.7 32.5 1.0
C B:ASP102 4.8 33.2 1.0
CB B:PHE106 4.8 32.7 1.0
N B:GLY105 4.9 29.7 1.0
C B:ILE107 4.9 24.9 1.0
O B:ASP100 4.9 27.3 1.0

Calcium binding site 4 out of 4 in 5b8i

Go back to Calcium Binding Sites List in 5b8i
Calcium binding site 4 out of 4 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 Calcium with other atoms in the Ca binding site number 4 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
B:Ca204

b:26.6
occ:1.00
 OD1 B:ASP141 2.3 29.4 1.0
O B:ARG147 2.3 30.2 1.0
OD1 B:ASP145 2.4 36.1 1.0
O B:HOH400 2.4 26.4 1.0
OD1 B:ASP143 2.4 33.8 1.0
OE2 B:GLU152 2.4 29.6 1.0
OE1 B:GLU152 2.5 28.3 1.0
CD B:GLU152 2.8 28.6 1.0
CG B:ASP145 3.3 40.4 1.0
CG B:ASP143 3.4 39.5 1.0
CG B:ASP141 3.4 33.1 1.0
C B:ARG147 3.5 28.4 1.0
OD2 B:ASP145 3.7 38.4 1.0
OD2 B:ASP143 3.8 41.7 1.0
N B:ASP145 4.1 37.1 1.0
CA B:ASP141 4.1 29.7 1.0
N B:ARG147 4.2 28.8 1.0
CB B:ASP141 4.3 31.5 1.0
OD2 B:ASP141 4.3 32.1 1.0
N B:ASP143 4.3 35.9 1.0
CG B:GLU152 4.4 30.6 1.0
O B:HOH389 4.4 38.1 1.0
N B:ILE148 4.4 23.7 1.0
N B:SER149 4.4 26.2 1.0
C B:ASP141 4.4 32.0 1.0
CB B:ASP145 4.4 40.1 1.0
CA B:ILE148 4.5 23.0 1.0
CA B:ARG147 4.5 26.3 1.0
N B:GLY144 4.5 37.8 1.0
N B:LEU142 4.6 30.9 1.0
CB B:ASP143 4.6 40.8 1.0
CG B:ARG147 4.7 36.1 1.0
CA B:ASP145 4.7 40.2 1.0
CA B:ASP143 4.8 42.5 1.0
N B:GLY146 4.8 32.9 1.0
C B:ASP143 4.9 42.1 1.0
C B:ILE148 4.9 26.2 1.0
O B:HOH383 5.0 33.0 1.0
CD1 B:ILE148 5.0 25.5 1.0
C B:ASP145 5.0 38.8 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 Jul 14 16:52:35 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy