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Calcium in PDB 4orc: Crytal Structure of Mammalian Calcineurin

Enzymatic activity of Crytal Structure of Mammalian Calcineurin

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

Protein crystallography data

The structure of Crytal Structure of Mammalian Calcineurin, PDB code: 4orc 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) 39.54 / 2.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 110.200, 110.200, 282.488, 90.00, 90.00, 120.00
R / Rfree (%) 21.5 / 26

Other elements in 4orc:

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

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

Calcium Binding Sites:

The binding sites of Calcium atom in the Crytal Structure of Mammalian Calcineurin (pdb code 4orc). 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 Mammalian Calcineurin, PDB code: 4orc:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4orc

Go back to Calcium Binding Sites List in 4orc
Calcium binding site 1 out of 4 in the Crytal Structure of Mammalian 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 Mammalian Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca500

b:46.1
occ:1.00
OD1 B:ASP30 2.4 32.1 1.0
OD1 B:ASP32 2.5 52.0 1.0
O B:SER36 2.6 39.0 1.0
OG B:SER34 2.7 37.1 1.0
OE2 B:GLU41 2.7 39.5 1.0
OE1 B:GLU41 2.9 38.0 1.0
CD B:GLU41 3.1 39.6 1.0
CG B:ASP32 3.3 52.1 1.0
OD2 B:ASP32 3.4 48.0 1.0
C B:SER36 3.6 37.2 1.0
CG B:ASP30 3.6 33.5 1.0
CB B:SER34 3.8 35.5 1.0
OE1 B:GLU68 4.1 45.5 1.0
OD2 B:ASP30 4.2 34.7 1.0
N B:LEU37 4.2 27.0 1.0
N B:SER38 4.2 28.8 1.0
CA B:LEU37 4.2 26.3 1.0
N B:SER34 4.4 37.9 1.0
N B:SER36 4.5 39.1 1.0
CG B:GLU41 4.5 39.6 1.0
CA B:SER36 4.5 35.3 1.0
CA B:SER34 4.6 34.1 1.0
N B:ASP32 4.6 52.0 1.0
CB B:ASP32 4.7 52.3 1.0
C B:LEU37 4.7 28.3 1.0
CB B:ASP30 4.8 31.5 1.0
CA B:ASP30 4.8 33.9 1.0
CB B:SER38 4.9 27.5 1.0
N B:LEU31 4.9 36.4 1.0
N B:GLY35 5.0 33.4 1.0

Calcium binding site 2 out of 4 in 4orc

Go back to Calcium Binding Sites List in 4orc
Calcium binding site 2 out of 4 in the Crytal Structure of Mammalian 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 Mammalian Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca501

b:33.8
occ:1.00
O B:GLU68 2.6 30.7 1.0
OD1 B:ASP64 2.7 34.2 1.0
OD1 B:ASP62 2.8 31.0 1.0
ND2 B:ASN66 2.8 32.8 1.0
OE1 B:GLU73 2.8 20.9 1.0
OE2 B:GLU73 2.8 20.8 1.0
OD2 B:ASP64 3.1 32.6 1.0
CD B:GLU73 3.2 20.6 1.0
CG B:ASP64 3.2 33.2 1.0
CG B:ASN66 3.4 36.1 1.0
C B:GLU68 3.5 34.6 1.0
OD1 B:ASN66 3.7 37.1 1.0
CG B:ASP62 3.9 31.1 1.0
OD2 B:ASP70 4.1 33.9 1.0
N B:ASP70 4.2 33.0 1.0
CA B:VAL69 4.3 22.3 1.0
N B:VAL69 4.3 23.9 1.0
N B:GLU68 4.3 38.8 1.0
CB B:ASN66 4.4 31.6 1.0
N B:ASN66 4.4 34.0 1.0
CA B:GLU68 4.5 36.0 1.0
CA B:ASP62 4.5 27.6 1.0
CG B:ASP70 4.5 31.3 1.0
CB B:ASP62 4.6 28.3 1.0
CB B:ASP64 4.6 30.8 1.0
CG B:GLU73 4.6 20.1 1.0
N B:ASP64 4.7 29.9 1.0
C B:VAL69 4.7 22.2 1.0
OD2 B:ASP62 4.8 31.8 1.0
CA B:ASN66 4.8 32.6 1.0
C B:ASP62 4.9 29.9 1.0
N B:GLY67 4.9 31.6 1.0
N B:THR63 4.9 27.2 1.0
OD1 B:ASP70 5.0 29.5 1.0
CB B:ASP70 5.0 28.2 1.0

Calcium binding site 3 out of 4 in 4orc

Go back to Calcium Binding Sites List in 4orc
Calcium binding site 3 out of 4 in the Crytal Structure of Mammalian 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 Mammalian Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:25.1
occ:1.00
O B:TYR105 2.6 26.4 1.0
OD1 B:ASP99 2.7 22.0 1.0
OE2 B:GLU110 2.8 27.3 1.0
OD1 B:ASP103 2.8 24.3 1.0
OD1 B:ASP101 2.8 27.7 1.0
OE1 B:GLU110 2.8 27.8 1.0
O B:HOH604 3.0 23.3 1.0
CD B:GLU110 3.1 27.2 1.0
CG B:ASP103 3.3 24.9 1.0
CG B:ASP101 3.3 26.6 1.0
OD2 B:ASP103 3.4 25.5 1.0
OD2 B:ASP101 3.5 27.6 1.0
C B:TYR105 3.8 25.9 1.0
CG B:ASP99 3.9 22.6 1.0
N B:ASP103 4.3 24.3 1.0
N B:TYR105 4.3 30.3 1.0
N B:ASP101 4.4 26.2 1.0
CB B:ASP101 4.4 23.9 1.0
CB B:ASP103 4.5 24.5 1.0
CG B:GLU110 4.5 23.8 1.0
CA B:TYR105 4.5 27.6 1.0
N B:LYS102 4.6 19.1 1.0
OD2 B:ASP99 4.6 22.6 1.0
N B:SER107 4.7 20.6 1.0
N B:ILE106 4.7 19.2 1.0
CA B:ILE106 4.7 18.8 1.0
CA B:ASP101 4.7 23.9 1.0
CB B:TYR105 4.7 30.3 1.0
OG B:SER107 4.8 20.2 1.0
CA B:ASP99 4.8 21.9 1.0
CA B:ASP103 4.8 24.6 1.0
C B:ASP99 4.8 21.7 1.0
C B:ASP101 4.9 26.7 1.0
N B:GLY104 4.9 24.0 1.0
CB B:ASP99 4.9 22.3 1.0
N B:MET100 5.0 28.4 1.0

Calcium binding site 4 out of 4 in 4orc

Go back to Calcium Binding Sites List in 4orc
Calcium binding site 4 out of 4 in the Crytal Structure of Mammalian 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 Mammalian Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca503

b:27.3
occ:1.00
O B:ARG146 2.7 28.2 1.0
OE1 B:GLU151 2.8 29.1 1.0
OD1 B:ASP144 2.8 45.7 1.0
OE2 B:GLU151 2.8 34.7 1.0
OD1 B:ASP142 2.8 41.9 1.0
OD1 B:ASP140 2.9 32.3 1.0
CD B:GLU151 3.1 32.5 1.0
CG B:ASP142 3.3 45.5 1.0
CG B:ASP144 3.4 45.6 1.0
OD2 B:ASP142 3.4 46.4 1.0
OD2 B:ASP144 3.5 42.5 1.0
C B:ARG146 3.8 26.5 1.0
CG B:ASP140 3.8 31.8 1.0
N B:ASP142 4.2 39.0 1.0
CA B:ASP140 4.4 30.7 1.0
N B:LYS141 4.4 46.6 1.0
N B:ASP144 4.4 44.4 1.0
CB B:ASP142 4.5 44.4 1.0
CB B:ASP140 4.5 29.1 1.0
N B:ARG146 4.5 27.1 1.0
N B:SER148 4.6 28.2 1.0
CA B:ILE147 4.6 25.9 1.0
N B:ILE147 4.6 24.4 1.0
OD2 B:ASP140 4.6 31.4 1.0
CG B:GLU151 4.6 29.5 1.0
CB B:ASP144 4.6 41.9 1.0
CA B:ASP142 4.7 41.5 1.0
C B:ASP140 4.7 35.2 1.0
N B:GLY143 4.7 43.5 1.0
CA B:ARG146 4.7 24.6 1.0
CG B:ARG146 4.8 29.5 1.0
C B:ASP142 4.9 44.0 1.0
OG B:SER148 4.9 29.2 1.0
CA B:ASP144 5.0 44.1 1.0

Reference:

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.
Page generated: Sat Dec 12 05:02:43 2020

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