Atomistry » Calcium » PDB 4eoy-4fb1 » 4f0z
Atomistry »
  Calcium »
    PDB 4eoy-4fb1 »
      4f0z »

Calcium in PDB 4f0z: Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L

Enzymatic activity of Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L

All present enzymatic activity of Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L, PDB code: 4f0z was solved by S.Grigoriu, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.31 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.691, 48.976, 82.442, 90.00, 104.37, 90.00
R / Rfree (%) 15.7 / 17.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L (pdb code 4f0z). 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 in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L, PDB code: 4f0z:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4f0z

Go back to Calcium Binding Sites List in 4f0z
Calcium binding site 1 out of 4 in the Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L


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 in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca201

b:21.9
occ:1.00
 OD1 B:ASP62 2.3 22.5 1.0
O B:GLU68 2.3 25.2 1.0
OD1 B:ASN66 2.3 30.8 1.0
OD1 B:ASP64 2.4 29.4 1.0
OE1 B:GLU73 2.4 23.7 1.0
O B:HOH320 2.4 23.7 1.0
OE2 B:GLU73 2.4 22.1 1.0
CD B:GLU73 2.8 22.1 1.0
CG B:ASP64 3.3 32.2 1.0
CG B:ASN66 3.3 31.9 1.0
H B:ASN66 3.3 33.1 1.0
HA B:ASP62 3.4 25.6 1.0
CG B:ASP62 3.5 24.0 1.0
C B:GLU68 3.5 22.2 1.0
H B:GLU68 3.6 31.5 1.0
OD2 B:ASP64 3.6 35.4 1.0
H B:ASP64 3.6 35.1 1.0
HA B:VAL69 3.7 23.4 1.0
H B:ASP70 3.8 23.6 1.0
HD22 B:ASN66 3.9 40.6 1.0
ND2 B:ASN66 4.0 33.9 1.0
H B:GLY65 4.1 35.9 1.0
N B:ASN66 4.1 27.6 1.0
CA B:ASP62 4.2 21.3 1.0
N B:GLU68 4.2 26.3 1.0
CB B:ASP62 4.3 21.5 1.0
CG B:GLU73 4.3 20.0 1.0
OD2 B:ASP62 4.3 22.9 1.0
CB B:ASN66 4.4 29.3 1.0
N B:VAL69 4.4 19.8 1.0
HB2 B:ASP62 4.4 25.8 1.0
HB3 B:ASN66 4.4 35.1 1.0
N B:ASP64 4.4 29.2 1.0
CA B:VAL69 4.4 19.5 1.0
CA B:GLU68 4.4 22.7 1.0
N B:GLY65 4.5 29.9 1.0
H B:GLY67 4.5 30.7 1.0
CB B:ASP64 4.5 30.9 1.0
C B:ASP62 4.5 19.9 1.0
N B:ASP70 4.6 19.7 1.0
H B:THR63 4.6 25.7 1.0
OD2 B:ASP70 4.6 35.6 1.0
CA B:ASN66 4.7 28.7 1.0
HB2 B:GLU68 4.7 28.5 1.0
HG2 B:GLU73 4.7 23.9 1.0
HG3 B:GLU73 4.7 23.9 1.0
N B:THR63 4.7 21.4 1.0
CA B:ASP64 4.8 29.8 1.0
HD21 B:ASN66 4.8 40.6 1.0
N B:GLY67 4.8 25.6 1.0
C B:ASP64 4.8 31.4 1.0
HB3 B:ASP64 4.8 37.1 1.0
HB2 B:GLU73 4.9 19.7 1.0
O B:HOH380 4.9 46.5 1.0
C B:ASN66 4.9 28.4 1.0
C B:VAL69 5.0 19.3 1.0

Calcium binding site 2 out of 4 in 4f0z

Go back to Calcium Binding Sites List in 4f0z
Calcium binding site 2 out of 4 in the Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L


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 in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:25.1
occ:1.00
 HG B:SER34 2.3 39.8 1.0
O B:SER36 2.3 26.8 1.0
OD1 B:ASP30 2.3 26.9 1.0
O B:HOH332 2.4 30.3 1.0
OD1 B:ASP32 2.4 32.1 1.0
OG B:SER34 2.4 33.2 1.0
OE2 B:GLU41 2.5 30.6 1.0
OE1 B:GLU41 2.5 28.2 1.0
CD B:GLU41 2.9 28.1 1.0
H B:SER34 3.3 44.9 1.0
CG B:ASP32 3.4 37.4 1.0
H B:ASP32 3.5 47.9 1.0
H B:SER36 3.5 28.9 1.0
CG B:ASP30 3.5 31.7 1.0
C B:SER36 3.5 26.8 1.0
HB3 B:SER34 3.5 40.4 1.0
CB B:SER34 3.6 33.6 1.0
HA B:LEU37 3.7 28.4 1.0
HA B:ASP30 3.7 34.9 1.0
OD2 B:ASP32 3.8 42.0 1.0
H B:SER38 4.0 27.0 1.0
N B:SER34 4.1 37.4 1.0
HB2 B:SER34 4.3 40.4 1.0
H B:LEU31 4.3 46.1 1.0
N B:SER36 4.3 24.1 1.0
OD2 B:ASP30 4.3 34.8 1.0
HD23 B:LEU37 4.3 32.6 1.0
N B:ASP32 4.3 39.9 1.0
CA B:SER34 4.3 32.4 1.0
CG B:GLU41 4.4 24.8 1.0
CA B:ASP30 4.4 29.1 1.0
N B:LEU37 4.4 27.3 1.0
CA B:LEU37 4.4 23.6 1.0
H B:GLY35 4.5 38.3 1.0
CA B:SER36 4.5 26.3 1.0
HB2 B:SER36 4.5 42.9 1.0
CB B:ASP30 4.5 30.6 1.0
N B:LEU31 4.5 38.4 1.0
C B:ASP30 4.6 35.0 1.0
N B:SER38 4.6 22.5 1.0
CB B:ASP32 4.7 37.1 1.0
HG3 B:GLU41 4.7 29.8 1.0
OE2 B:GLU68 4.7 35.9 1.0
H B:ASN33 4.7 43.7 1.0
N B:GLY35 4.8 31.9 1.0
HG2 B:GLU41 4.8 29.8 1.0
N B:ASN33 4.8 36.4 1.0
O B:HOH397 4.8 33.8 1.0
CA B:ASP32 4.8 39.0 1.0
HB3 B:SER38 4.8 32.9 1.0
HB2 B:ASP30 4.8 36.7 1.0
C B:ASP32 4.9 41.6 1.0
C B:SER34 4.9 31.8 1.0
C B:LEU37 5.0 23.6 1.0

Calcium binding site 3 out of 4 in 4f0z

Go back to Calcium Binding Sites List in 4f0z
Calcium binding site 3 out of 4 in the Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L


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 in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca203

b:12.0
occ:1.00
 OD1 B:ASP99 2.3 15.3 1.0
O B:TYR105 2.3 12.9 1.0
OD1 B:ASP101 2.4 14.4 1.0
OE1 B:GLU110 2.4 9.7 1.0
O B:HOH309 2.4 20.1 1.0
OD1 B:ASP103 2.4 12.5 1.0
OE2 B:GLU110 2.5 14.1 1.0
CD B:GLU110 2.8 13.8 1.0
H B:ASP103 3.3 16.1 1.0
CG B:ASP103 3.3 17.2 1.0
CG B:ASP101 3.3 19.3 1.0
H B:TYR105 3.4 11.2 1.0
CG B:ASP99 3.4 13.7 1.0
H B:ASP101 3.5 16.7 1.0
C B:TYR105 3.5 10.9 1.0
HA B:ASP99 3.7 14.6 1.0
HA B:ILE106 3.8 11.2 1.0
OD2 B:ASP101 3.8 25.0 1.0
H B:SER107 3.8 13.3 1.0
OD2 B:ASP103 3.9 19.4 1.0
N B:ASP103 4.1 13.4 1.0
H B:LYS102 4.1 17.4 1.0
N B:TYR105 4.1 9.3 1.0
HB2 B:TYR105 4.2 13.9 1.0
OD2 B:ASP99 4.2 14.6 1.0
N B:ASP101 4.2 13.9 1.0
CG B:GLU110 4.3 12.6 1.0
CA B:ASP99 4.3 12.2 1.0
CB B:ASP103 4.4 16.6 1.0
CA B:TYR105 4.4 10.2 1.0
H B:GLY104 4.4 14.9 1.0
HB3 B:ASP103 4.4 19.9 1.0
CB B:ASP99 4.4 13.3 1.0
O B:HOH331 4.4 26.0 1.0
C B:ASP99 4.4 14.7 1.0
N B:ILE106 4.5 9.6 1.0
N B:LYS102 4.5 14.5 1.0
HB3 B:SER107 4.5 16.1 1.0
N B:SER107 4.5 11.1 1.0
CB B:ASP101 4.5 16.1 1.0
H B:MET100 4.5 14.1 1.0
CA B:ILE106 4.5 9.3 1.0
HG3 B:GLU110 4.6 15.1 1.0
N B:MET100 4.6 11.8 1.0
CA B:ASP103 4.6 14.7 1.0
CA B:ASP101 4.6 14.2 1.0
HB2 B:ASP99 4.6 16.0 1.0
C B:ASP101 4.7 15.0 1.0
N B:GLY104 4.7 12.4 1.0
HG2 B:GLU110 4.7 15.1 1.0
CB B:TYR105 4.8 11.6 1.0
HB3 B:ASP101 4.8 19.3 1.0
O B:ASP99 4.9 15.3 1.0
C B:ASP103 4.9 15.3 1.0
HB2 B:GLU110 4.9 12.7 1.0
C B:ILE106 5.0 10.1 1.0

Calcium binding site 4 out of 4 in 4f0z

Go back to Calcium Binding Sites List in 4f0z
Calcium binding site 4 out of 4 in the Crystal Structure of Calcineurin in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L


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 in Complex with the Calcineurin- Inhibiting Domain of the African Swine Fever Virus Protein A238L within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca204

b:12.5
occ:1.00
 OD1 B:ASP140 2.3 12.9 1.0
OD1 B:ASP142 2.3 13.2 1.0
OD1 B:ASP144 2.4 13.8 1.0
O B:ARG146 2.4 12.4 1.0
O B:HOH303 2.4 12.6 1.0
OE1 B:GLU151 2.4 13.0 1.0
OE2 B:GLU151 2.5 13.2 1.0
CD B:GLU151 2.8 12.5 1.0
CG B:ASP144 3.3 16.3 1.0
CG B:ASP140 3.4 14.8 1.0
CG B:ASP142 3.5 19.1 1.0
H B:ASP144 3.5 22.2 1.0
H B:ASP142 3.5 18.7 1.0
C B:ARG146 3.5 12.6 1.0
HA B:ASP140 3.6 17.3 1.0
H B:ARG146 3.6 14.7 1.0
HA B:ILE147 3.7 10.0 1.0
OD2 B:ASP144 3.7 18.5 1.0
H B:SER148 3.7 11.3 1.0
OD2 B:ASP142 4.0 20.8 1.0
HG3 B:ARG146 4.0 24.4 1.0
OD2 B:ASP140 4.3 15.9 1.0
HD13 B:ILE147 4.3 17.9 1.0
N B:ARG146 4.3 12.3 1.0
H B:LYS141 4.3 18.9 1.0
H B:GLY143 4.3 23.4 1.0
CA B:ASP140 4.3 14.4 1.0
N B:ASP144 4.3 18.5 1.0
CB B:ASP140 4.3 12.4 1.0
N B:ASP142 4.3 15.6 1.0
HB3 B:SER148 4.3 15.4 1.0
CG B:GLU151 4.3 12.6 1.0
O B:HOH312 4.3 17.1 1.0
N B:ILE147 4.4 11.2 1.0
N B:SER148 4.4 9.5 1.0
CA B:ILE147 4.4 8.3 1.0
HB2 B:ASP140 4.4 14.9 1.0
H B:GLY145 4.5 20.9 1.0
CA B:ARG146 4.5 11.5 1.0
CB B:ASP144 4.5 18.4 1.0
N B:LYS141 4.6 15.8 1.0
N B:GLY143 4.6 19.5 1.0
C B:ASP140 4.6 20.9 1.0
CB B:ASP142 4.7 18.2 1.0
HG2 B:ARG146 4.7 24.4 1.0
HG3 B:GLU151 4.7 15.2 1.0
HG2 B:GLU151 4.8 15.2 1.0
CG B:ARG146 4.8 20.3 1.0
HB3 B:ASP144 4.8 22.0 1.0
CA B:ASP142 4.8 17.3 1.0
CA B:ASP144 4.8 16.1 1.0
N B:GLY145 4.8 17.4 1.0
C B:ASP142 4.9 20.7 1.0
O B:HOH318 4.9 19.1 1.0
C B:ILE147 4.9 10.3 1.0
HB2 B:GLU151 4.9 13.6 1.0

Reference:

S.Grigoriu, R.Bond, P.Cossio, J.A.Chen, N.Ly, G.Hummer, R.Page, M.S.Cyert, W.Peti. The Molecular Mechanism of Substrate Engagement and Immunosuppressant Inhibition of Calcineurin. Plos Biol. V. 11 01492 2013.
ISSN: ISSN 1544-9173
PubMed: 23468591
DOI: 10.1371/JOURNAL.PBIO.1001492
Page generated: Tue Jul 8 19:53:27 2025

Last articles

Cd in 3AO9
Cd in 3AUW
Cd in 3AWD
Cd in 3AO5
Cd in 3AMS
Cd in 3AO4
Cd in 3AO3
Cd in 3AO2
Cd in 3AO1
Cd in 3AF9
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy