Calcium in PDB 4il1: Crystal Structure of the Rat Calcineurin

All present enzymatic activity of Crystal Structure of the Rat Calcineurin:
3.1.3.16;

The structure of Crystal Structure of the Rat Calcineurin, PDB code: 4il1 was solved by Q.Ye, F.Faucher, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.300, 193.850, 107.820, 90.00, 90.09, 90.00
R / Rfree (%)	24.1 / 27.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of the Rat Calcineurin (pdb code 4il1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the Crystal Structure of the Rat Calcineurin, PDB code: 4il1:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 16 in the Crystal Structure of the Rat 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 the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:0.7 occ:1.00 OD1 A:ASP190 2.3 0.1 1.0 OD1 A:ASP188 2.3 80.7 1.0 O A:SER194 2.3 0.1 1.0 OE2 A:GLU199 2.3 87.0 1.0 OE1 A:GLU199 2.9 78.6 1.0 CD A:GLU199 3.0 85.2 1.0 CG A:ASP190 3.0 98.1 1.0 OD2 A:ASP190 3.1 0.9 1.0 CG A:ASP188 3.2 75.4 1.0 C A:SER194 3.4 0.0 1.0 CB A:SER192 3.5 82.5 1.0 OD2 A:ASP188 3.6 70.1 1.0 N A:SER192 3.7 85.8 1.0 N A:SER194 3.8 0.8 1.0 CA A:SER192 4.0 83.9 1.0 N A:GLY193 4.2 90.5 1.0 OE1 A:GLU226 4.2 0.4 1.0 CA A:SER194 4.2 0.4 1.0 OG A:SER192 4.3 83.7 1.0 C A:SER192 4.3 86.4 1.0 N A:LEU195 4.4 0.2 1.0 CB A:ASP190 4.4 86.2 1.0 CB A:ASP188 4.5 77.4 1.0 CG A:GLU199 4.5 85.8 1.0 OG A:SER194 4.5 0.8 1.0 CA A:LEU195 4.6 96.7 1.0 N A:ASN191 4.6 86.9 1.0 C A:ASP190 4.6 81.6 1.0 N A:ASP190 4.7 85.1 1.0 CA A:ASP188 4.7 77.0 1.0 C A:ASN191 4.8 86.4 1.0 N A:SER196 4.8 87.6 1.0 CA A:ASP190 4.8 85.0 1.0 CB A:SER194 4.9 98.3 1.0 O A:ASP190 4.9 70.5 1.0 C A:GLY193 5.0 0.7 1.0 CA A:ASN191 5.0 89.8 1.0

Calcium binding site 2 out of 16 in the Crystal Structure of the Rat 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 the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca902 b:65.5 occ:1.00 OD1 A:ASP222 2.3 74.4 1.0 OD2 A:ASP222 2.3 75.5 1.0 OD1 A:ASP220 2.3 79.7 1.0 O A:GLU226 2.3 70.5 1.0 OE1 A:GLU231 2.3 58.1 1.0 OD1 A:ASN224 2.3 67.3 1.0 OE2 A:GLU231 2.4 43.9 1.0 CG A:ASP222 2.6 79.3 1.0 CD A:GLU231 2.7 48.8 1.0 CG A:ASN224 3.0 78.3 1.0 ND2 A:ASN224 3.3 84.8 1.0 CG A:ASP220 3.4 80.3 1.0 C A:GLU226 3.5 72.4 1.0 CB A:ASP222 4.1 75.2 1.0 OD2 A:ASP220 4.1 93.8 1.0 CA A:ASP220 4.2 63.9 1.0 CA A:VAL227 4.2 60.1 1.0 CB A:ASP220 4.2 70.4 1.0 CG A:GLU231 4.3 50.2 1.0 N A:ASP228 4.3 58.0 1.0 N A:VAL227 4.3 61.5 1.0 N A:ASN224 4.4 66.4 1.0 OD2 A:ASP228 4.4 65.1 1.0 CB A:ASN224 4.4 71.5 1.0 N A:ASP222 4.4 69.8 1.0 N A:GLU226 4.5 77.2 1.0 CA A:GLU226 4.6 81.6 1.0 C A:ASP220 4.6 61.2 1.0 N A:GLY223 4.7 72.6 1.0 CA A:ASP222 4.7 72.1 1.0 N A:THR221 4.7 60.2 1.0 C A:VAL227 4.8 59.6 1.0 CA A:ASN224 4.8 70.9 1.0 CG A:ASP228 4.9 62.5 1.0 C A:ASP222 5.0 70.4 1.0

Calcium binding site 3 out of 16 in the Crystal Structure of the Rat 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 the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca903 b:59.7 occ:1.00 OD1 A:ASP257 2.3 65.9 1.0 O A:TYR263 2.3 62.9 1.0 OE1 A:GLU268 2.3 59.1 1.0 OD1 A:ASP261 2.3 57.4 1.0 OD1 A:ASP259 2.3 68.3 1.0 OE2 A:GLU268 2.3 60.8 1.0 O A:HOH1018 2.3 41.2 1.0 CD A:GLU268 2.7 61.7 1.0 CG A:ASP259 3.1 68.6 1.0 CG A:ASP261 3.2 66.7 1.0 OD2 A:ASP259 3.5 68.3 1.0 C A:TYR263 3.5 64.3 1.0 OD2 A:ASP261 3.5 72.2 1.0 CG A:ASP257 3.5 68.9 1.0 N A:TYR263 4.2 60.2 1.0 OD2 A:ASP257 4.2 71.2 1.0 CG A:GLU268 4.2 60.3 1.0 CB A:ASP259 4.3 67.6 1.0 CA A:TYR263 4.3 63.7 1.0 N A:ASP259 4.3 71.1 1.0 N A:ASP261 4.4 70.3 1.0 CB A:ASP261 4.4 65.8 1.0 N A:SER265 4.5 56.1 1.0 N A:ILE264 4.5 59.0 1.0 CA A:ILE264 4.6 64.9 1.0 CB A:TYR263 4.6 71.2 1.0 CB A:ASP257 4.6 62.6 1.0 CA A:ASP257 4.6 62.6 1.0 CA A:ASP259 4.7 69.0 1.0 N A:LYS260 4.7 66.0 1.0 C A:ASP257 4.8 65.0 1.0 CA A:ASP261 4.8 67.2 1.0 C A:ASP259 4.8 64.7 1.0 N A:MET258 4.9 63.4 1.0 CB A:SER265 4.9 59.1 1.0 C A:ILE264 4.9 58.8 1.0 N A:GLY262 5.0 68.6 1.0

Calcium binding site 4 out of 16 in the Crystal Structure of the Rat 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 the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca904 b:72.5 occ:1.00 O A:ARG304 2.3 63.3 1.0 OE1 A:GLU309 2.3 65.0 1.0 OD1 A:ASP300 2.3 86.2 1.0 OE2 A:GLU309 2.3 64.4 1.0 OD1 A:ASP298 2.3 70.0 1.0 OD1 A:ASP302 2.4 88.6 1.0 CD A:GLU309 2.7 63.1 1.0 CG A:ASP302 3.1 81.1 1.0 OD2 A:ASP302 3.1 80.9 1.0 CG A:ASP300 3.1 82.9 1.0 OD2 A:ASP300 3.2 89.4 1.0 C A:ARG304 3.5 67.6 1.0 CG A:ASP298 3.5 71.5 1.0 CG A:GLU309 4.2 62.5 1.0 N A:ARG304 4.2 82.2 1.0 OD2 A:ASP298 4.2 76.1 1.0 N A:SER306 4.3 66.1 1.0 N A:ILE305 4.3 65.5 1.0 CB A:ASP298 4.4 69.8 1.0 CA A:ARG304 4.4 76.5 1.0 CA A:ILE305 4.4 63.6 1.0 CA A:ASP298 4.5 67.8 1.0 CB A:ASP300 4.6 77.8 1.0 CB A:ASP302 4.6 80.9 1.0 N A:ASP300 4.7 72.0 1.0 CG A:ARG304 4.7 88.6 1.0 C A:ILE305 4.8 64.5 1.0 N A:ASP302 4.8 75.6 1.0 N A:LYS299 4.8 73.5 1.0 CB A:SER306 4.9 65.4 1.0 N A:GLY301 4.9 63.7 1.0 N A:GLY303 5.0 80.9 1.0

Calcium binding site 5 out of 16 in the Crystal Structure of the Rat Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca901 b:85.9 occ:1.00 OD1 B:ASP188 2.2 82.9 1.0 OE2 B:GLU199 2.3 97.7 1.0 O B:SER194 2.3 87.2 1.0 OD1 B:ASP190 2.3 0.1 1.0 OE1 B:GLU199 2.4 81.1 1.0 CD B:GLU199 2.7 94.2 1.0 CG B:ASP190 3.1 0.3 1.0 CG B:ASP188 3.2 84.8 1.0 OG B:SER192 3.2 99.4 1.0 OD2 B:ASP190 3.2 0.4 1.0 C B:SER194 3.3 83.1 1.0 OD2 B:ASP188 3.7 68.4 1.0 N B:SER194 4.0 90.0 1.0 N B:LEU195 4.2 87.5 1.0 N B:SER192 4.2 93.1 1.0 CG B:GLU199 4.2 95.3 1.0 CB B:SER192 4.2 0.6 1.0 CA B:SER194 4.2 84.6 1.0 CB B:ASP188 4.2 91.6 1.0 CA B:LEU195 4.3 88.0 1.0 CA B:ASP188 4.3 96.3 1.0 OE1 B:GLU226 4.5 0.4 1.0 CB B:ASP190 4.5 0.1 1.0 N B:ASP190 4.6 0.7 1.0 N B:GLY193 4.6 88.5 1.0 N B:SER196 4.6 0.4 1.0 N B:LEU189 4.6 0.6 1.0 CA B:SER192 4.7 91.7 1.0 N B:ASN191 4.7 0.7 1.0 C B:ASP188 4.7 0.2 1.0 C B:ASP190 4.8 0.4 1.0 CD1 B:LEU195 4.8 84.9 1.0 CA B:ASP190 4.9 0.3 1.0 CB B:SER194 4.9 83.5 1.0 C B:LEU195 4.9 94.4 1.0 C B:SER192 4.9 86.8 1.0 CB B:GLU199 5.0 97.3 1.0

Calcium binding site 6 out of 16 in the Crystal Structure of the Rat Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca902 b:66.7 occ:1.00 OE1 B:GLU231 2.3 53.7 1.0 O B:GLU226 2.3 69.2 1.0 OD1 B:ASP222 2.3 80.4 1.0 OD1 B:ASN224 2.3 72.4 1.0 OD2 B:ASP222 2.4 68.3 1.0 OD1 B:ASP220 2.4 73.8 1.0 OE2 B:GLU231 2.4 47.0 1.0 CG B:ASP222 2.6 77.8 1.0 CD B:GLU231 2.7 47.8 1.0 CG B:ASN224 3.0 81.7 1.0 ND2 B:ASN224 3.3 85.8 1.0 CG B:ASP220 3.4 65.5 1.0 C B:GLU226 3.5 76.4 1.0 CB B:ASP222 4.1 76.0 1.0 OD2 B:ASP220 4.1 64.7 1.0 CA B:VAL227 4.2 60.2 1.0 CA B:ASP220 4.2 56.2 1.0 N B:ASP228 4.2 71.3 1.0 CG B:GLU231 4.2 47.2 1.0 CB B:ASP220 4.3 62.5 1.0 N B:VAL227 4.3 63.0 1.0 OD2 B:ASP228 4.3 76.6 1.0 N B:ASN224 4.3 84.1 1.0 CB B:ASN224 4.3 79.3 1.0 N B:ASP222 4.4 74.0 1.0 N B:GLU226 4.5 85.2 1.0 CA B:GLU226 4.6 86.0 1.0 N B:GLY223 4.6 80.4 1.0 C B:ASP220 4.7 63.4 1.0 CA B:ASP222 4.7 78.1 1.0 C B:VAL227 4.7 63.0 1.0 N B:THR221 4.7 65.9 1.0 CA B:ASN224 4.8 81.9 1.0 CG B:ASP228 4.9 85.1 1.0 C B:ASP222 4.9 81.5 1.0

Calcium binding site 7 out of 16 in the Crystal Structure of the Rat Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca903 b:67.2 occ:1.00 O B:TYR263 2.3 66.8 1.0 OE2 B:GLU268 2.3 56.7 1.0 OE1 B:GLU268 2.3 57.6 1.0 OD1 B:ASP259 2.3 92.3 1.0 OD1 B:ASP261 2.3 79.8 1.0 OD1 B:ASP257 2.4 68.9 1.0 CD B:GLU268 2.6 57.6 1.0 CG B:ASP259 3.0 92.8 1.0 CG B:ASP261 3.1 88.9 1.0 OD2 B:ASP259 3.3 92.5 1.0 OD2 B:ASP261 3.4 96.2 1.0 C B:TYR263 3.5 67.0 1.0 CG B:ASP257 3.6 67.5 1.0 CG B:GLU268 4.1 57.5 1.0 N B:TYR263 4.2 65.5 1.0 CB B:ASP259 4.3 84.0 1.0 N B:SER265 4.3 57.1 1.0 CA B:TYR263 4.3 67.3 1.0 OD2 B:ASP257 4.4 75.6 1.0 CB B:ASP261 4.4 79.4 1.0 N B:ILE264 4.4 63.0 1.0 N B:ASP261 4.5 69.3 1.0 CA B:ILE264 4.5 57.6 1.0 N B:ASP259 4.5 66.4 1.0 CB B:TYR263 4.6 70.1 1.0 CB B:ASP257 4.7 63.6 1.0 CA B:ASP257 4.8 61.7 1.0 CA B:ASP259 4.8 75.4 1.0 CB B:SER265 4.8 61.5 1.0 C B:ILE264 4.9 55.1 1.0 CA B:ASP261 4.9 71.2 1.0 N B:LYS260 4.9 62.3 1.0 C B:ASP257 5.0 58.5 1.0 C B:ASP259 5.0 69.4 1.0 CB B:GLU268 5.0 55.2 1.0

Calcium binding site 8 out of 16 in the Crystal Structure of the Rat Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca904 b:80.8 occ:1.00 OD1 B:ASP302 2.3 82.7 1.0 OE2 B:GLU309 2.3 68.3 1.0 OD1 B:ASP300 2.3 93.9 1.0 OD1 B:ASP298 2.4 82.2 1.0 O B:ARG304 2.4 64.7 1.0 OE1 B:GLU309 2.4 69.5 1.0 OD2 B:ASP302 2.4 85.4 1.0 CD B:GLU309 2.7 65.0 1.0 CG B:ASP302 2.8 81.5 1.0 CG B:ASP300 3.1 92.6 1.0 C B:ARG304 3.5 69.2 1.0 CG B:ASP298 3.5 76.1 1.0 CB B:ASP300 3.7 85.5 1.0 OD2 B:ASP300 3.9 91.5 1.0 N B:ASP300 4.2 88.0 1.0 CG B:GLU309 4.2 63.7 1.0 N B:SER306 4.3 63.4 1.0 N B:ARG304 4.3 79.6 1.0 CB B:ASP302 4.3 79.2 1.0 OD2 B:ASP298 4.3 66.2 1.0 N B:ILE305 4.4 69.6 1.0 CA B:ARG304 4.5 71.3 1.0 CB B:ASP298 4.5 73.9 1.0 CA B:ILE305 4.5 69.1 1.0 CA B:ASP300 4.5 85.4 1.0 CA B:ASP298 4.6 70.9 1.0 N B:LYS299 4.6 77.0 1.0 N B:ASP302 4.7 81.2 1.0 C B:ILE305 4.8 64.2 1.0 N B:GLY301 4.9 90.4 1.0 CB B:SER306 4.9 68.3 1.0 CB B:ARG304 4.9 70.3 1.0 N B:GLY303 5.0 74.8 1.0 C B:ASP298 5.0 75.2 1.0

Calcium binding site 9 out of 16 in the Crystal Structure of the Rat Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca901 b:0.9 occ:1.00 OD1 C:ASP190 2.2 0.4 1.0 OE2 C:GLU199 2.3 83.6 1.0 O C:SER194 2.4 0.8 1.0 OD2 C:ASP190 2.4 0.9 1.0 OD1 C:ASP188 2.4 84.4 1.0 CG C:ASP190 2.7 0.8 1.0 OG C:SER192 2.7 86.9 1.0 OE1 C:GLU199 3.0 82.1 1.0 CD C:GLU199 3.0 85.2 1.0 CG C:ASP188 3.4 78.1 1.0 C C:SER194 3.5 91.2 1.0 CB C:SER192 3.7 90.3 1.0 OD2 C:ASP188 3.8 70.9 1.0 N C:SER194 3.9 90.6 1.0 N C:SER192 3.9 96.3 1.0 CB C:ASP190 4.2 0.7 1.0 OE1 C:GLU226 4.2 0.9 1.0 CA C:SER194 4.2 85.1 1.0 CA C:SER192 4.3 90.5 1.0 N C:GLY193 4.4 84.6 1.0 N C:LEU195 4.5 89.9 1.0 CG C:GLU199 4.5 88.7 1.0 C C:SER192 4.6 85.5 1.0 C C:ASP190 4.7 94.7 1.0 CB C:ASP188 4.7 83.6 1.0 N C:ASP190 4.7 0.9 1.0 N C:ASN191 4.7 97.5 1.0 CA C:LEU195 4.7 88.8 1.0 CB C:SER194 4.7 80.9 1.0 CA C:ASP190 4.8 0.2 1.0 N C:SER196 4.9 0.9 1.0 CA C:ASP188 4.9 87.4 1.0 O C:ASP190 5.0 87.9 1.0

Calcium binding site 10 out of 16 in the Crystal Structure of the Rat Calcineurin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of the Rat Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca902 b:70.1 occ:1.00 O C:GLU226 2.3 72.7 1.0 OD1 C:ASP220 2.3 64.3 1.0 OD1 C:ASP222 2.3 64.6 1.0 OE1 C:GLU231 2.3 58.7 1.0 OD2 C:ASP222 2.4 67.5 1.0 OE2 C:GLU231 2.4 64.5 1.0 OD1 C:ASN224 2.4 84.2 1.0 CG C:ASP222 2.6 68.0 1.0 CD C:GLU231 2.7 57.3 1.0 CG C:ASN224 3.1 85.1 1.0 ND2 C:ASN224 3.3 86.8 1.0 CG C:ASP220 3.3 68.6 1.0 C C:GLU226 3.5 79.3 1.0 CB C:ASP222 4.1 71.1 1.0 OD2 C:ASP220 4.1 83.5 1.0 CA C:ASP220 4.1 60.8 1.0 CB C:ASP220 4.2 65.3 1.0 CA C:VAL227 4.2 70.4 1.0 CG C:GLU231 4.3 54.6 1.0 N C:VAL227 4.3 72.8 1.0 N C:ASP228 4.3 72.6 1.0 N C:ASN224 4.3 76.8 1.0 N C:ASP222 4.4 68.1 1.0 CB C:ASN224 4.4 82.5 1.0 OD2 C:ASP228 4.4 91.6 1.0 N C:GLU226 4.5 80.0 1.0 CA C:GLU226 4.5 86.0 1.0 C C:ASP220 4.6 57.0 1.0 N C:GLY223 4.6 82.1 1.0 N C:THR221 4.6 56.5 1.0 CA C:ASP222 4.7 73.0 1.0 C C:VAL227 4.8 72.0 1.0 CA C:ASN224 4.8 82.7 1.0 C C:ASP222 4.9 79.0 1.0 CG C:ASP228 5.0 87.0 1.0

Q.Ye, Y.Feng, Y.Yin, F.Faucher, M.A.Currie, M.N.Rahman, J.Jin, S.Li, Q.Wei, Z.Jia. Structural Basis of Calcineurin Activation By Calmodulin. Cell Signal V. 25 2661 2013.
PubMed: 24018048
DOI: 10.1016/J.CELLSIG.2013.08.033