Calcium in PDB 4orb: Crytal Structure of Mouse Calcineurin

All present enzymatic activity of Crytal Structure of Mouse Calcineurin:
3.1.3.16;

The structure of Crytal Structure of Mouse Calcineurin, PDB code: 4orb was solved by L.Ma, S.J.Li, J.Wang, J.W.Wu, Z.X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.69 / 3.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.865, 107.466, 175.823, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.3

The structure of Crytal Structure of Mouse Calcineurin also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Crytal Structure of Mouse Calcineurin (pdb code 4orb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crytal Structure of Mouse Calcineurin, PDB code: 4orb:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crytal Structure of Mouse Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crytal Structure of Mouse Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:48.2 occ:1.00 OE1 B:GLU73 2.8 51.9 1.0 OD1 B:ASP64 2.8 50.9 1.0 O B:GLU68 2.8 78.6 1.0 OD1 B:ASN66 2.9 71.7 1.0 OD1 B:ASP62 2.9 56.4 1.0 OE2 B:GLU73 3.0 51.8 1.0 O B:HOH301 3.0 65.5 1.0 OD2 B:ASP64 3.1 49.3 1.0 CG B:ASN66 3.2 70.6 1.0 CD B:GLU73 3.2 51.0 1.0 CG B:ASP64 3.3 50.2 1.0 C B:GLU68 3.3 80.0 1.0 ND2 B:ASN66 3.3 68.5 1.0 N B:VAL69 3.8 56.8 1.0 CG B:ASP62 3.8 60.0 1.0 CA B:VAL69 3.8 53.2 1.0 OD1 B:ASP70 3.9 63.0 1.0 N B:ASP70 4.0 63.5 1.0 N B:GLU68 4.1 81.2 1.0 CA B:GLU68 4.2 83.2 1.0 N B:ASN66 4.3 68.9 1.0 CB B:ASN66 4.3 70.9 1.0 C B:VAL69 4.4 51.9 1.0 CA B:ASP62 4.4 54.4 1.0 CB B:ASP62 4.5 57.9 1.0 OD2 B:ASP62 4.6 63.6 1.0 CB B:ASP64 4.7 49.4 1.0 N B:GLY67 4.7 66.8 1.0 CA B:ASN66 4.7 70.4 1.0 CG B:GLU73 4.7 49.3 1.0 CB B:GLU68 4.7 87.5 1.0 N B:ASP64 4.8 46.9 1.0 CG B:ASP70 4.9 63.8 1.0 C B:ASP62 4.9 51.4 1.0 N B:GLY65 4.9 59.8 1.0

Calcium binding site 2 out of 4 in the Crytal Structure of Mouse Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crytal Structure of Mouse Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:52.6 occ:1.00 O B:TYR105 2.7 57.0 1.0 OE1 B:GLU110 2.8 57.5 1.0 OD1 B:ASP101 2.9 61.7 1.0 OE2 B:GLU110 2.9 54.4 1.0 O B:HOH302 2.9 63.4 1.0 OD1 B:ASP99 2.9 53.6 1.0 OD1 B:ASP103 2.9 65.7 1.0 CD B:GLU110 3.0 57.0 1.0 OD2 B:ASP101 3.2 70.2 1.0 CG B:ASP101 3.2 65.9 1.0 CG B:ASP103 3.3 63.6 1.0 OD2 B:ASP103 3.3 66.3 1.0 C B:TYR105 3.8 58.8 1.0 CG B:ASP99 4.0 53.8 1.0 N B:SER107 4.1 54.0 1.0 CG B:GLU110 4.3 56.9 1.0 N B:ASP101 4.3 61.0 1.0 CB B:SER107 4.4 58.6 1.0 CB B:ASP101 4.4 65.9 1.0 CB B:ASP103 4.5 57.2 1.0 CA B:ILE106 4.5 62.4 1.0 N B:ASP103 4.6 52.6 1.0 N B:TYR105 4.6 62.9 1.0 N B:ILE106 4.7 60.7 1.0 CA B:ASP99 4.7 55.2 1.0 CA B:TYR105 4.7 62.9 1.0 OG B:SER107 4.7 57.2 1.0 C B:ILE106 4.8 63.4 1.0 N B:MET100 4.8 55.1 1.0 CA B:ASP101 4.8 62.7 1.0 OD2 B:ASP99 4.8 53.5 1.0 CA B:SER107 4.9 56.2 1.0 CB B:ASP99 4.9 52.3 1.0 C B:ASP99 4.9 54.7 1.0 CB B:TYR105 4.9 67.9 1.0

Calcium binding site 3 out of 4 in the Crytal Structure of Mouse Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crytal Structure of Mouse Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:50.8 occ:1.00 OE1 B:GLU151 2.7 57.2 1.0 O B:ARG146 2.7 63.2 1.0 OD1 B:ASP144 2.8 80.7 1.0 OD1 B:ASP142 2.9 72.2 1.0 OE2 B:GLU151 2.9 58.6 1.0 OD1 B:ASP140 2.9 65.9 1.0 O B:HOH303 3.1 62.3 1.0 CD B:GLU151 3.1 59.4 1.0 OD2 B:ASP142 3.2 71.8 1.0 CG B:ASP144 3.2 81.6 1.0 OD2 B:ASP144 3.2 81.5 1.0 CG B:ASP142 3.2 73.0 1.0 C B:ARG146 3.6 63.2 1.0 CG B:ASP140 3.7 64.4 1.0 N B:SER148 3.9 59.7 1.0 CA B:ILE147 4.0 58.8 1.0 CA B:ASP140 4.2 62.4 1.0 N B:ILE147 4.2 57.6 1.0 CB B:ASP140 4.3 63.0 1.0 CB B:ASP144 4.4 81.4 1.0 CB B:ASP142 4.4 74.0 1.0 N B:ARG146 4.4 66.7 1.0 C B:ILE147 4.4 61.1 1.0 N B:ASP144 4.4 79.8 1.0 N B:ASP142 4.4 68.6 1.0 OD2 B:ASP140 4.5 62.8 1.0 CG B:GLU151 4.6 61.0 1.0 CA B:ARG146 4.6 64.9 1.0 C B:ASP140 4.6 65.1 1.0 OG B:SER148 4.7 61.7 1.0 CB B:SER148 4.7 62.1 1.0 CD1 B:ILE147 4.8 58.6 1.0 CA B:ASP142 4.8 71.8 1.0 CA B:ASP144 4.8 79.9 1.0 N B:GLY145 4.8 66.4 1.0 N B:LYS141 4.9 71.1 1.0 CA B:SER148 4.9 59.8 1.0 N B:GLY143 5.0 58.6 1.0 CG B:ARG146 5.0 68.8 1.0

Calcium binding site 4 out of 4 in the Crytal Structure of Mouse Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crytal Structure of Mouse Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:60.0 occ:1.00 O B:SER36 2.8 86.3 1.0 OE1 B:GLU41 2.8 75.0 1.0 OD1 B:ASP32 2.8 0.3 1.0 OG B:SER34 2.9 70.8 1.0 OD1 B:ASP30 2.9 75.7 1.0 OD2 B:ASP32 3.1 0.7 1.0 OE2 B:GLU41 3.1 77.0 1.0 CD B:GLU41 3.2 75.6 1.0 CG B:ASP32 3.3 0.5 1.0 C B:SER36 3.6 83.6 1.0 N B:SER38 3.7 70.8 1.0 CB B:SER34 3.9 74.1 1.0 CA B:LEU37 3.9 72.2 1.0 CG B:ASP30 4.0 75.6 1.0 N B:LEU37 4.1 69.1 1.0 OE2 B:GLU68 4.1 99.7 1.0 C B:LEU37 4.2 73.6 1.0 OE1 B:GLU68 4.3 99.6 1.0 N B:SER36 4.4 85.8 1.0 CG B:GLU41 4.5 74.7 1.0 CD B:GLU68 4.5 97.7 1.0 N B:SER34 4.5 74.9 1.0 OD2 B:ASP30 4.5 72.3 1.0 CB B:SER38 4.5 73.4 1.0 OG B:SER38 4.6 75.0 1.0 CA B:SER36 4.6 82.1 1.0 CA B:SER34 4.7 73.6 1.0 CD1 B:LEU37 4.7 71.4 1.0 CB B:ASP32 4.7 0.7 1.0 CA B:SER38 4.8 69.2 1.0 OG B:SER36 4.8 82.2 1.0 N B:GLY35 5.0 78.2 1.0 CA B:ASP30 5.0 79.3 1.0

S.J.Li, L.Ma, J.Wang, C.Lu, J.Wang, J.W.Wu, Z.X.Wang. Cooperative Autoinhibition and Multi-Level Activation Mechanisms of Calcineurin To Be Published.