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Calcium in PDB 3o78: The Structure of CA2+ Sensor (Case-12)

Enzymatic activity of The Structure of CA2+ Sensor (Case-12)

All present enzymatic activity of The Structure of CA2+ Sensor (Case-12):
2.7.11.18;

Protein crystallography data

The structure of The Structure of CA2+ Sensor (Case-12), PDB code: 3o78 was solved by L.Leder, W.Stark, F.Freuler, M.Marsh, M.Meyerhofer, T.Stettler, L.M.Mayr, O.V.Britanova, L.A.Strukova, D.M.Chudakov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.83 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.374, 101.635, 82.211, 90.00, 91.45, 90.00
R / Rfree (%) 24.2 / 31.6

Calcium Binding Sites:

The binding sites of Calcium atom in the The Structure of CA2+ Sensor (Case-12) (pdb code 3o78). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the The Structure of CA2+ Sensor (Case-12), PDB code: 3o78:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 3o78

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Calcium binding site 1 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:20.2
occ:1.00
OE1 A:GLU300 2.2 2.0 1.0
OD1 A:ASP293 2.3 7.7 1.0
OD1 A:ASP291 2.3 2.0 1.0
OD1 A:ASP289 2.5 3.8 1.0
OE2 A:GLU300 2.8 2.9 1.0
CD A:GLU300 2.8 2.0 1.0
O A:THR295 2.9 7.0 1.0
CG A:ASP293 2.9 6.8 1.0
CG A:ASP291 3.2 2.4 1.0
OD2 A:ASP293 3.3 7.8 1.0
OD2 A:ASP291 3.4 2.0 1.0
CG A:ASP289 3.8 6.9 1.0
CB A:ASP293 3.9 5.1 1.0
C A:THR295 4.0 7.0 1.0
OG1 A:THR295 4.0 6.8 1.0
CG A:GLU300 4.2 2.0 1.0
N A:ASP293 4.3 5.8 1.0
CA A:ASP289 4.5 5.7 1.0
N A:THR295 4.5 8.0 1.0
CB A:ASP291 4.5 2.9 1.0
OD2 A:ASP289 4.6 10.7 1.0
N A:ASP291 4.6 3.9 1.0
CA A:ASP293 4.6 5.6 1.0
CG2 A:THR297 4.7 4.5 1.0
C A:ASP289 4.7 5.5 1.0
CB A:ASP289 4.7 6.5 1.0
CA A:THR295 4.7 7.9 1.0
N A:ILE296 4.8 5.7 1.0
C A:ASP293 4.8 6.1 1.0
CA A:ILE296 4.8 5.1 1.0
CA A:ASP291 4.9 3.9 1.0
N A:LYS290 4.9 5.3 1.0
OG1 A:THR297 5.0 8.2 1.0
N A:GLY292 5.0 5.4 1.0
N A:GLY294 5.0 5.8 1.0

Calcium binding site 2 out of 8 in 3o78

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Calcium binding site 2 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:47.4
occ:1.00
OD2 A:ASP325 2.3 21.2 1.0
O A:THR331 2.3 14.3 1.0
OD1 A:ASN329 2.4 28.6 1.0
OE1 A:GLU336 2.6 13.4 1.0
OE2 A:GLU336 2.7 16.1 1.0
OD1 A:ASP327 2.8 33.9 1.0
CD A:GLU336 3.0 13.3 1.0
CG A:ASP325 3.3 22.3 1.0
OD2 A:ASP327 3.3 31.1 1.0
CG A:ASN329 3.4 25.6 1.0
CG A:ASP327 3.4 30.4 1.0
C A:THR331 3.4 14.9 1.0
ND2 A:ASN329 3.8 27.4 1.0
OG1 A:THR331 3.8 15.2 1.0
OD1 A:ASP325 3.9 24.0 1.0
CA A:ILE332 4.1 14.6 1.0
N A:ILE332 4.3 14.0 1.0
CB A:ASP325 4.3 21.0 1.0
N A:THR331 4.3 16.7 1.0
N A:ASP333 4.3 12.9 1.0
CA A:THR331 4.3 15.3 1.0
CG A:GLU336 4.4 8.5 1.0
CA A:ASP325 4.5 20.9 1.0
CB A:ASN329 4.6 23.8 1.0
CB A:THR331 4.7 15.3 1.0
C A:ILE332 4.7 14.0 1.0
OD2 A:ASP333 4.7 12.2 1.0
N A:ASN329 4.8 24.7 1.0
CB A:ASP327 4.8 28.2 1.0
N A:ASP327 4.8 27.1 1.0
C A:ASP325 4.8 22.0 1.0
CG A:ASP333 4.9 10.7 1.0

Calcium binding site 3 out of 8 in 3o78

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Calcium binding site 3 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:32.8
occ:1.00
O A:TYR368 2.1 16.2 1.0
OD1 A:ASN366 2.2 11.7 1.0
OD2 A:ASP364 2.2 4.1 1.0
OE2 A:GLU373 2.6 2.6 1.0
OD2 A:ASP362 2.6 2.0 1.0
OE1 A:GLU373 2.7 4.8 1.0
CG A:ASN366 2.9 9.7 1.0
CD A:GLU373 3.0 4.4 1.0
CG A:ASP364 3.2 2.0 1.0
C A:TYR368 3.3 15.8 1.0
ND2 A:ASN366 3.3 9.6 1.0
CG A:ASP362 3.5 2.0 1.0
OD1 A:ASP364 3.6 3.3 1.0
N A:TYR368 3.8 16.1 1.0
N A:ASN366 3.9 7.3 1.0
CA A:TYR368 4.1 16.5 1.0
CB A:ASN366 4.1 9.5 1.0
OD1 A:ASP362 4.2 2.0 1.0
CB A:ASP362 4.3 3.6 1.0
N A:ILE369 4.3 14.8 1.0
CA A:ASN366 4.4 9.0 1.0
CA A:ASP362 4.4 3.9 1.0
N A:GLY367 4.4 11.9 1.0
CG A:GLU373 4.5 6.7 1.0
N A:ASP364 4.5 2.5 1.0
CB A:TYR368 4.5 17.8 1.0
CB A:ASP364 4.5 2.2 1.0
N A:GLY365 4.5 4.3 1.0
C A:ASN366 4.6 10.3 1.0
C A:ASP362 4.6 4.3 1.0
CA A:ILE369 4.6 14.0 1.0
N A:LYS363 4.6 3.5 1.0
C A:ASP364 4.8 4.1 1.0
CA A:ASP364 4.8 3.3 1.0
N A:SER370 4.9 13.6 1.0
C A:GLY365 5.0 6.4 1.0
C A:GLY367 5.0 15.5 1.0

Calcium binding site 4 out of 8 in 3o78

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Calcium binding site 4 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:39.4
occ:1.00
OD1 A:ASP398 2.1 20.0 1.0
O A:GLN404 2.2 7.3 1.0
OD1 A:ASP402 2.5 15.0 1.0
O A:HOH448 2.5 25.0 1.0
OE2 A:GLU409 2.6 16.1 1.0
OD2 A:ASP400 2.7 11.8 1.0
OE1 A:GLU409 2.9 15.3 1.0
CD A:GLU409 3.1 13.2 1.0
CG A:ASP398 3.3 20.0 1.0
CG A:ASP402 3.4 14.3 1.0
C A:GLN404 3.4 7.4 1.0
CG A:ASP400 3.7 13.9 1.0
N A:ASP402 3.8 14.1 1.0
CA A:ASP398 3.8 20.0 1.0
CB A:ASP398 4.0 20.0 1.0
OD2 A:ASP402 4.0 16.2 1.0
OD1 A:ASP400 4.1 12.5 1.0
C A:ASP398 4.2 20.0 1.0
N A:GLN404 4.2 9.1 1.0
N A:GLY401 4.2 14.7 1.0
OD2 A:ASP398 4.2 20.0 1.0
N A:VAL405 4.3 7.4 1.0
CA A:VAL405 4.3 6.8 1.0
CB A:ASP402 4.4 13.7 1.0
CA A:GLN404 4.4 8.6 1.0
CA A:ASP402 4.4 13.9 1.0
N A:ILE399 4.5 13.7 1.0
N A:ASP400 4.5 15.5 1.0
CG A:GLU409 4.6 11.0 1.0
O A:ASP398 4.7 14.1 1.0
N A:ASN406 4.7 7.0 1.0
N A:GLY403 4.7 12.2 1.0
C A:ASP402 4.7 13.2 1.0
C A:ASP400 4.7 15.0 1.0
C A:GLY401 4.8 14.3 1.0
CA A:GLY401 4.8 14.2 1.0
CB A:ASP400 4.9 15.4 1.0
CA A:ASP400 4.9 15.2 1.0

Calcium binding site 5 out of 8 in 3o78

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Calcium binding site 5 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca501

b:18.1
occ:1.00
OE1 B:GLU300 2.1 18.4 1.0
OD1 B:ASP289 2.3 16.7 1.0
OD1 B:ASP291 2.4 16.7 1.0
OD1 B:ASP293 2.4 23.4 1.0
O B:THR295 2.6 19.1 1.0
OE2 B:GLU300 2.6 17.2 1.0
CD B:GLU300 2.7 14.9 1.0
CG B:ASP293 3.0 22.4 1.0
OD2 B:ASP293 3.3 25.2 1.0
CG B:ASP291 3.3 17.3 1.0
CG B:ASP289 3.6 15.5 1.0
OD2 B:ASP291 3.6 19.4 1.0
C B:THR295 3.8 18.7 1.0
CB B:ASP293 4.1 20.4 1.0
CG B:GLU300 4.2 15.4 1.0
OG1 B:THR295 4.2 14.9 1.0
CA B:ASP289 4.2 13.7 1.0
N B:ASP293 4.3 18.8 1.0
OD2 B:ASP289 4.4 15.7 1.0
C B:ASP289 4.4 15.2 1.0
N B:THR295 4.5 18.0 1.0
CB B:ASP289 4.5 13.6 1.0
N B:ASP291 4.5 16.8 1.0
CG2 B:THR297 4.6 17.8 1.0
CA B:THR295 4.6 17.8 1.0
CA B:ILE296 4.6 19.9 1.0
CB B:ASP291 4.7 15.5 1.0
N B:ILE296 4.7 19.1 1.0
CA B:ASP293 4.7 20.1 1.0
N B:LYS290 4.7 15.7 1.0
N B:THR297 4.9 19.9 1.0
O B:ASP289 4.9 15.1 1.0
CA B:ASP291 4.9 16.6 1.0
CB B:GLU300 5.0 16.0 1.0
N B:GLY292 5.0 15.9 1.0
C B:ASP293 5.0 19.1 1.0
C B:ASP291 5.0 16.0 1.0

Calcium binding site 6 out of 8 in 3o78

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Calcium binding site 6 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:18.7
occ:1.00
OD2 B:ASP325 2.1 17.3 1.0
OE1 B:GLU336 2.3 18.0 1.0
O B:THR331 2.3 15.8 1.0
OE2 B:GLU336 2.4 11.5 1.0
OD1 B:ASN329 2.7 26.5 1.0
CD B:GLU336 2.7 16.9 1.0
OD1 B:ASP327 2.7 31.8 1.0
CG B:ASP325 3.2 18.4 1.0
CG B:ASP327 3.4 30.4 1.0
OD2 B:ASP327 3.4 28.5 1.0
C B:THR331 3.5 16.7 1.0
CG B:ASN329 3.6 27.2 1.0
ND2 B:ASN329 4.0 28.8 1.0
OD1 B:ASP325 4.0 19.2 1.0
CA B:ILE332 4.1 15.5 1.0
CG B:GLU336 4.2 14.8 1.0
CB B:ASP325 4.2 20.8 1.0
CA B:ASP325 4.2 21.1 1.0
N B:ASP333 4.3 15.2 1.0
N B:ILE332 4.3 16.0 1.0
OG1 B:THR331 4.4 20.5 1.0
N B:THR331 4.5 19.9 1.0
C B:ASP325 4.5 22.8 1.0
CA B:THR331 4.6 17.9 1.0
O B:HOH424 4.6 21.0 1.0
N B:ASP327 4.6 27.8 1.0
C B:ILE332 4.7 15.0 1.0
N B:ALA326 4.7 24.4 1.0
CB B:ASP327 4.8 28.8 1.0
N B:ASN329 4.8 26.6 1.0
OD2 B:ASP333 4.8 22.1 1.0
CB B:ASN329 4.8 26.3 1.0
CG B:ASP333 4.9 16.9 1.0
CB B:GLU336 5.0 11.5 1.0

Calcium binding site 7 out of 8 in 3o78

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Calcium binding site 7 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca503

b:9.4
occ:1.00
O B:TYR368 2.2 18.6 1.0
OE1 B:GLU373 2.2 12.5 1.0
OE2 B:GLU373 2.2 14.6 1.0
OD2 B:ASP364 2.3 21.7 1.0
OD2 B:ASP362 2.5 22.4 1.0
CD B:GLU373 2.5 15.0 1.0
OD1 B:ASN366 2.7 11.9 1.0
CG B:ASP364 3.2 23.2 1.0
CG B:ASN366 3.3 17.7 1.0
C B:TYR368 3.4 18.5 1.0
CG B:ASP362 3.5 18.4 1.0
OD1 B:ASP364 3.6 28.7 1.0
ND2 B:ASN366 3.7 19.3 1.0
CG B:GLU373 4.1 14.5 1.0
CA B:ASP362 4.1 18.9 1.0
N B:TYR368 4.1 19.0 1.0
CB B:ASP362 4.2 19.1 1.0
OD1 B:ASP362 4.3 18.8 1.0
N B:ASN366 4.3 21.0 1.0
C B:ASP362 4.3 19.5 1.0
N B:ASP364 4.3 21.9 1.0
CA B:TYR368 4.3 18.5 1.0
N B:ILE369 4.3 17.7 1.0
N B:LYS363 4.4 20.0 1.0
CA B:ILE369 4.4 16.5 1.0
CB B:ASN366 4.5 19.7 1.0
CB B:ASP364 4.5 22.7 1.0
N B:SER370 4.6 17.4 1.0
N B:GLY365 4.7 21.8 1.0
CB B:TYR368 4.7 18.4 1.0
C B:ASP364 4.8 22.3 1.0
CA B:ASN366 4.8 20.0 1.0
CA B:ASP364 4.8 22.2 1.0
N B:GLY367 4.8 19.9 1.0
CB B:GLU373 4.9 15.2 1.0
O B:ASP362 4.9 19.2 1.0
C B:ASN366 4.9 19.6 1.0
C B:ILE369 4.9 17.5 1.0

Calcium binding site 8 out of 8 in 3o78

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Calcium binding site 8 out of 8 in the The Structure of CA2+ Sensor (Case-12)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of The Structure of CA2+ Sensor (Case-12) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca504

b:30.5
occ:1.00
OD2 B:ASP400 2.3 26.3 1.0
OD1 B:ASP398 2.3 28.6 1.0
O B:GLN404 2.4 21.3 1.0
OE2 B:GLU409 2.5 23.2 1.0
OD1 B:ASP402 2.6 24.6 1.0
OE1 B:GLU409 2.6 25.4 1.0
CD B:GLU409 2.9 23.3 1.0
CG B:ASP402 3.3 24.2 1.0
CG B:ASP400 3.4 27.9 1.0
CG B:ASP398 3.5 27.4 1.0
C B:GLN404 3.6 20.9 1.0
OD1 B:ASP400 3.8 27.9 1.0
OD2 B:ASP402 3.8 22.5 1.0
N B:ASP402 3.9 25.8 1.0
CA B:ASP398 4.1 26.7 1.0
CB B:ASP398 4.2 26.6 1.0
C B:ASP398 4.3 26.6 1.0
N B:GLY401 4.3 27.0 1.0
N B:ASP400 4.4 27.1 1.0
CB B:ASP402 4.4 24.1 1.0
N B:GLN404 4.4 21.2 1.0
OD2 B:ASP398 4.4 31.6 1.0
CG B:GLU409 4.4 22.1 1.0
CA B:VAL405 4.4 19.9 1.0
N B:VAL405 4.5 20.3 1.0
CA B:ASP402 4.6 24.5 1.0
N B:ILE399 4.6 26.2 1.0
N B:ASN406 4.6 19.5 1.0
C B:ASP400 4.6 26.9 1.0
CB B:ASP400 4.6 25.8 1.0
CA B:GLN404 4.6 21.1 1.0
CA B:ASP400 4.7 26.7 1.0
O B:ASP398 4.8 26.9 1.0
N B:GLY403 4.8 22.2 1.0
C B:ASP402 4.8 23.1 1.0
C B:GLY401 4.9 27.1 1.0
ND2 B:ASN406 4.9 24.3 1.0
CG B:ASN406 4.9 20.6 1.0
OD1 B:ASN406 5.0 19.1 1.0
CA B:GLY401 5.0 27.5 1.0

Reference:

L.Leder, W.Stark, F.Freuler, M.Marsh, M.Meyerhofer, T.Stettler, L.M.Mayr, O.V.Britanova, L.A.Strukova, D.M.Chudakov, E.A.Souslova. The Structure of CA2+ Sensor CASE16 Reveals the Mechanism of Reaction to Low CA2+ Concentrations Sensors (Basel) V. 10 8143 2010.
ISSN: ESSN 1424-8220
PubMed: 22163646
DOI: 10.3390/S100908143
Page generated: Sat Jul 13 15:14:10 2024

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