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Calcium in PDB 4or9: Crystal Structure of Human Calcineurin

Enzymatic activity of Crystal Structure of Human Calcineurin

All present enzymatic activity of Crystal Structure of Human Calcineurin:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of Human Calcineurin, PDB code: 4or9 was solved by 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) 47.78 / 2.23
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 110.871, 110.871, 282.731, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 21.5

Other elements in 4or9:

The structure of Crystal Structure of Human Calcineurin 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 Human Calcineurin (pdb code 4or9). 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 Human Calcineurin, PDB code: 4or9:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4or9

Go back to Calcium Binding Sites List in 4or9
Calcium binding site 1 out of 4 in the Crystal Structure of Human Calcineurin


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 Human Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca201

b:79.5
occ:1.00
OD1 B:ASP30 2.5 62.3 1.0
O B:SER36 2.6 68.2 1.0
OD1 B:ASP32 2.8 64.6 1.0
OE2 B:GLU41 2.8 65.9 1.0
OE1 B:GLU41 2.8 64.5 1.0
O B:HOH353 2.9 30.0 1.0
OG B:SER34 3.0 60.8 1.0
CD B:GLU41 3.1 61.4 1.0
CG B:ASP32 3.5 66.5 1.0
OD2 B:ASP32 3.5 62.7 1.0
C B:SER36 3.6 64.5 1.0
CG B:ASP30 3.7 56.4 1.0
CB B:SER34 3.8 63.2 1.0
N B:SER34 4.2 66.2 1.0
CA B:LEU37 4.3 52.6 1.0
N B:SER38 4.4 49.3 1.0
OD2 B:ASP30 4.4 52.5 1.0
N B:LEU37 4.4 61.3 1.0
N B:SER36 4.4 56.4 1.0
CA B:SER36 4.5 59.2 1.0
CG B:GLU41 4.5 57.8 1.0
CA B:SER34 4.6 60.4 1.0
OE1 B:GLU68 4.6 66.0 1.0
CA B:ASP30 4.6 52.2 1.0
CB B:ASP30 4.7 52.2 1.0
N B:ASP32 4.7 72.8 1.0
N B:LEU31 4.8 59.7 1.0
C B:LEU37 4.8 49.4 1.0
CB B:ASP32 4.8 73.5 1.0
CB B:SER36 4.9 63.8 1.0
C B:ASP30 4.9 56.5 1.0
N B:ASN33 4.9 71.0 1.0
C B:SER34 5.0 60.0 1.0

Calcium binding site 2 out of 4 in 4or9

Go back to Calcium Binding Sites List in 4or9
Calcium binding site 2 out of 4 in the Crystal Structure of Human Calcineurin


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 Human Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:0.9
occ:1.00
O B:GLU68 2.2 44.2 1.0
OD1 B:ASP62 2.3 63.8 1.0
OD1 B:ASP64 2.4 62.0 1.0
OE1 B:GLU73 2.6 45.7 1.0
OD1 B:ASN66 2.6 42.7 1.0
O B:HOH354 2.6 30.0 1.0
OE2 B:GLU73 2.6 44.7 1.0
CD B:GLU73 3.0 44.5 1.0
CG B:ASP64 3.2 57.4 1.0
C B:GLU68 3.3 41.5 1.0
OD2 B:ASP64 3.3 56.5 1.0
CG B:ASN66 3.4 47.1 1.0
CG B:ASP62 3.5 48.9 1.0
ND2 B:ASN66 3.8 48.5 1.0
N B:VAL69 4.2 40.3 1.0
N B:GLU68 4.2 47.8 1.0
CB B:ASP62 4.2 47.2 1.0
CA B:VAL69 4.3 37.1 1.0
N B:ASP70 4.3 42.7 1.0
N B:ASN66 4.3 51.7 1.0
CA B:GLU68 4.3 48.5 1.0
CA B:ASP62 4.3 51.6 1.0
OD2 B:ASP62 4.4 53.7 1.0
CG B:GLU73 4.5 38.3 1.0
CB B:ASP64 4.5 55.4 1.0
CB B:ASN66 4.6 51.4 1.0
N B:ASP64 4.6 49.2 1.0
N B:GLY65 4.7 52.6 1.0
OD2 B:ASP70 4.7 62.5 1.0
C B:VAL69 4.7 41.3 1.0
C B:ASP62 4.8 54.3 1.0
CG B:ASP70 4.8 54.6 1.0
CA B:ASN66 4.8 56.9 1.0
CA B:ASP64 4.9 54.6 1.0
CB B:GLU68 4.9 54.2 1.0
N B:GLY67 4.9 55.2 1.0

Calcium binding site 3 out of 4 in 4or9

Go back to Calcium Binding Sites List in 4or9
Calcium binding site 3 out of 4 in the Crystal Structure of Human Calcineurin


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 Human Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca203

b:50.2
occ:1.00
O B:TYR105 2.6 54.3 1.0
OD1 B:ASP99 2.6 38.9 1.0
OD1 B:ASP101 2.8 48.0 1.0
OE2 B:GLU110 2.8 52.5 1.0
OD1 B:ASP103 2.8 42.9 1.0
OE1 B:GLU110 2.9 53.9 1.0
O B:HOH306 2.9 55.4 1.0
CD B:GLU110 3.2 49.1 1.0
CG B:ASP103 3.4 54.0 1.0
CG B:ASP101 3.5 57.8 1.0
C B:TYR105 3.7 55.0 1.0
OD2 B:ASP103 3.7 55.9 1.0
CG B:ASP99 3.8 48.7 1.0
OD2 B:ASP101 3.8 59.1 1.0
N B:TYR105 4.2 52.5 1.0
N B:ASP103 4.2 47.4 1.0
N B:ASP101 4.3 42.6 1.0
CA B:ASP99 4.4 41.6 1.0
CA B:TYR105 4.4 54.0 1.0
N B:SER107 4.5 41.5 1.0
C B:ASP99 4.5 43.4 1.0
OD2 B:ASP99 4.5 55.3 1.0
CB B:ASP103 4.5 47.4 1.0
N B:ILE106 4.6 51.2 1.0
N B:LYS102 4.6 41.0 1.0
CA B:ILE106 4.6 42.5 1.0
CB B:ASP99 4.6 41.7 1.0
CG B:GLU110 4.6 41.5 1.0
N B:MET100 4.6 40.8 1.0
CB B:ASP101 4.7 48.8 1.0
CA B:ASP103 4.8 49.5 1.0
CA B:ASP101 4.8 45.8 1.0
CB B:TYR105 4.8 55.1 1.0
C B:ASP101 4.8 41.0 1.0
N B:GLY104 4.9 48.0 1.0
OG B:SER107 4.9 52.4 1.0
C B:ILE106 5.0 44.6 1.0

Calcium binding site 4 out of 4 in 4or9

Go back to Calcium Binding Sites List in 4or9
Calcium binding site 4 out of 4 in the Crystal Structure of Human Calcineurin


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 Human Calcineurin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca204

b:65.4
occ:1.00
OD1 B:ASP144 2.7 59.5 1.0
O B:ARG146 2.8 50.5 1.0
OD1 B:ASP140 2.8 56.6 1.0
OE1 B:GLU151 2.8 55.5 1.0
OE2 B:GLU151 2.9 63.6 1.0
O B:HOH309 3.0 71.4 1.0
OD1 B:ASP142 3.0 89.9 1.0
OD2 B:ASP142 3.2 89.8 1.0
CD B:GLU151 3.2 57.5 1.0
CG B:ASP142 3.3 91.2 1.0
CG B:ASP144 3.4 69.9 1.0
OD2 B:ASP144 3.6 69.0 1.0
CG B:ASP140 3.7 63.9 1.0
C B:ARG146 3.9 51.3 1.0
N B:ASP142 4.2 82.5 1.0
OD2 B:ASP140 4.3 66.2 1.0
N B:ASP144 4.5 68.5 1.0
CA B:ASP140 4.5 63.0 1.0
N B:LYS141 4.5 79.1 1.0
N B:SER148 4.5 50.9 1.0
N B:ARG146 4.6 52.4 1.0
CB B:ASP140 4.6 62.6 1.0
CB B:ASP142 4.6 86.4 1.0
N B:GLY143 4.6 73.8 1.0
CA B:ILE147 4.6 48.7 1.0
CB B:ASP144 4.7 71.6 1.0
CG B:GLU151 4.7 56.2 1.0
N B:ILE147 4.7 49.9 1.0
CA B:ASP142 4.8 82.7 1.0
C B:ASP140 4.8 71.3 1.0
CA B:ARG146 4.9 50.4 1.0
C B:ASP142 4.9 80.5 1.0
OG B:SER148 5.0 57.7 1.0
CG B:ARG146 5.0 51.7 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 05:02:39 2020

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