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Calcium in PDB 4pls: Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.

Protein crystallography data

The structure of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure., PDB code: 4pls was solved by C.Reichen, C.Madhurantakam, A.Plueckthun, P.R.Mittl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.27 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.870, 95.860, 177.070, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 26.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. (pdb code 4pls). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure., PDB code: 4pls:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 4pls

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Calcium binding site 1 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:26.7
occ:1.00
 O A:PRO191 2.2 25.8 1.0
O A:HOH405 2.4 40.3 1.0
O C:PRO65 2.4 22.3 1.0
OE1 A:GLU193 2.4 28.8 1.0
O C:HOH411 2.5 34.3 1.0
OE1 C:GLU67 2.6 27.9 1.0
OE2 C:GLU67 3.3 32.4 1.0
CD C:GLU67 3.3 26.4 1.0
C A:PRO191 3.3 26.1 1.0
CD A:GLU193 3.4 30.8 1.0
C C:PRO65 3.6 24.1 1.0
OE2 A:GLU193 3.8 35.7 1.0
O A:HOH412 4.0 32.5 1.0
CA A:ASN192 4.0 25.6 1.0
N A:ASN192 4.1 25.1 1.0
CA C:ASN66 4.2 23.7 1.0
N A:GLU193 4.3 25.8 1.0
N C:ASN66 4.3 23.9 1.0
N C:GLU67 4.3 23.3 1.0
CA A:PRO191 4.4 26.8 1.0
CB A:PRO191 4.6 26.0 1.0
CA C:PRO65 4.6 24.5 1.0
C A:ASN192 4.7 25.5 1.0
CB C:PRO65 4.7 21.6 1.0
CG A:GLU193 4.8 31.4 1.0
C C:ASN66 4.8 24.1 1.0
CG C:GLU67 4.8 25.4 1.0
O A:HOH402 5.0 29.5 1.0

Calcium binding site 2 out of 10 in 4pls

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Calcium binding site 2 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:29.9
occ:1.00
 OE1 D:GLU235 1.9 35.7 1.0
O D:HOH423 2.3 32.5 1.0
O A:HOH415 2.3 24.8 1.0
O D:PRO233 2.3 28.4 1.0
OE1 A:GLU235 2.4 31.5 1.0
O A:PRO233 2.4 23.9 1.0
CD D:GLU235 3.1 35.3 1.0
CD A:GLU235 3.2 34.2 1.0
OE2 A:GLU235 3.3 34.5 1.0
C D:PRO233 3.5 27.7 1.0
C A:PRO233 3.6 24.2 1.0
OE2 D:GLU235 3.8 37.0 1.0
CG D:GLU235 4.3 36.1 1.0
N D:ASN234 4.3 24.9 1.0
CA D:ASN234 4.3 27.8 1.0
CA A:ASN234 4.4 26.3 1.0
N A:ASN234 4.5 23.4 1.0
CA D:PRO233 4.5 28.2 1.0
N A:GLU235 4.5 28.9 1.0
CA A:PRO233 4.5 25.0 1.0
N D:GLU235 4.5 28.6 1.0
CB D:PRO233 4.5 27.5 1.0
CB A:PRO233 4.6 23.9 1.0
CG A:GLU235 4.6 35.0 1.0
O A:HOH455 4.8 38.9 1.0
C A:ASN234 4.9 27.2 1.0
C D:ASN234 5.0 29.4 1.0

Calcium binding site 3 out of 10 in 4pls

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Calcium binding site 3 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:35.0
occ:1.00
 OE1 A:GLU151 2.2 39.8 1.0
O A:HOH430 2.3 46.1 1.0
O A:PRO149 2.3 28.6 1.0
O C:HOH420 2.3 40.0 1.0
OE1 C:GLU109 2.4 34.3 1.0
O C:PRO107 2.5 26.7 1.0
CD C:GLU109 3.1 30.5 1.0
OE2 C:GLU109 3.1 33.9 1.0
CD A:GLU151 3.4 36.7 1.0
C A:PRO149 3.4 28.3 1.0
C C:PRO107 3.7 27.4 1.0
CA A:ASN150 4.2 28.2 1.0
OE2 A:GLU151 4.2 39.6 1.0
N A:ASN150 4.2 28.2 1.0
CG A:GLU151 4.3 40.0 1.0
N C:GLU109 4.5 25.3 1.0
CA A:PRO149 4.5 29.1 1.0
N A:GLU151 4.5 27.5 1.0
CA C:ASN108 4.5 27.2 1.0
CG C:GLU109 4.6 29.4 1.0
N C:ASN108 4.6 27.9 1.0
CB C:PRO107 4.6 30.2 1.0
CA C:PRO107 4.6 30.3 1.0
CB A:PRO149 4.7 29.8 1.0
C A:ASN150 4.9 29.2 1.0

Calcium binding site 4 out of 10 in 4pls

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Calcium binding site 4 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:49.8
occ:1.00
 O A:HOH439 2.3 47.6 1.0
O C:PRO191 2.3 41.0 1.0
O A:PRO65 2.4 46.5 1.0
OE1 C:GLU193 2.4 52.0 1.0
O A:HOH438 2.6 54.9 1.0
OE1 A:GLU67 2.7 60.3 1.0
CD C:GLU193 3.4 53.2 1.0
C C:PRO191 3.5 39.4 1.0
C A:PRO65 3.6 48.7 1.0
CD A:GLU67 3.7 51.6 1.0
OE2 C:GLU193 3.9 51.2 1.0
OE2 A:GLU67 4.0 48.9 1.0
CA A:ASN66 4.2 49.6 1.0
N A:ASN66 4.3 51.8 1.0
CA C:ASN192 4.4 38.3 1.0
N C:ASN192 4.4 40.2 1.0
N A:GLU67 4.4 52.8 1.0
CA C:PRO191 4.5 41.2 1.0
N C:GLU193 4.5 41.9 1.0
CB C:PRO191 4.6 41.1 1.0
CA A:PRO65 4.6 50.5 1.0
CG C:GLU193 4.7 48.4 1.0
CB A:PRO65 4.8 50.8 1.0
C A:ASN66 4.9 49.3 1.0
C C:ASN192 4.9 40.1 1.0

Calcium binding site 5 out of 10 in 4pls

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Calcium binding site 5 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:37.2
occ:1.00
 OE1 C:GLU151 2.2 36.2 1.0
O C:PRO149 2.3 33.9 1.0
OE1 A:GLU109 2.3 35.9 1.0
O A:HOH440 2.3 39.2 1.0
O A:PRO107 2.3 35.0 1.0
CD A:GLU109 3.3 38.6 1.0
C C:PRO149 3.4 32.4 1.0
CD C:GLU151 3.4 35.8 1.0
C A:PRO107 3.5 34.5 1.0
OE2 A:GLU109 3.6 37.2 1.0
OE2 C:GLU151 4.1 36.1 1.0
N C:ASN150 4.2 31.2 1.0
CA C:ASN150 4.2 30.1 1.0
N A:GLU109 4.4 34.6 1.0
N A:ASN108 4.4 34.6 1.0
CA A:ASN108 4.4 35.3 1.0
CA C:PRO149 4.4 34.1 1.0
CA A:PRO107 4.5 33.0 1.0
CG C:GLU151 4.5 35.5 1.0
N C:GLU151 4.5 29.1 1.0
CB C:PRO149 4.5 33.1 1.0
CB A:PRO107 4.6 32.2 1.0
CG A:GLU109 4.7 35.2 1.0
C A:ASN108 4.9 36.3 1.0
C C:ASN150 4.9 28.3 1.0

Calcium binding site 6 out of 10 in 4pls

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Calcium binding site 6 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:32.6
occ:1.00
 O B:PRO65 2.3 33.8 1.0
O B:HOH451 2.3 41.8 1.0
O D:HOH430 2.3 39.0 1.0
O D:PRO191 2.4 29.1 1.0
OE1 B:GLU67 2.5 33.1 1.0
OE1 D:GLU193 2.5 31.0 1.0
O B:HOH434 2.6 35.4 1.0
CD B:GLU67 3.3 35.6 1.0
C B:PRO65 3.4 32.1 1.0
OE2 B:GLU67 3.4 42.5 1.0
CD D:GLU193 3.5 31.4 1.0
C D:PRO191 3.6 29.6 1.0
OE2 D:GLU193 3.7 37.6 1.0
CA B:ASN66 4.2 28.7 1.0
N B:ASN66 4.2 30.8 1.0
CA D:ASN192 4.3 27.4 1.0
N D:ASN192 4.3 28.9 1.0
CA B:PRO65 4.4 33.8 1.0
N B:GLU67 4.4 26.7 1.0
N D:GLU193 4.4 26.1 1.0
CB B:PRO65 4.6 34.6 1.0
CA D:PRO191 4.6 30.5 1.0
CB D:PRO191 4.7 29.7 1.0
CG B:GLU67 4.8 32.4 1.0
CG D:GLU193 4.8 29.8 1.0
C B:ASN66 4.8 27.6 1.0
C D:ASN192 4.9 27.6 1.0

Calcium binding site 7 out of 10 in 4pls

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Calcium binding site 7 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca302

b:35.7
occ:1.00
 OE1 D:GLU151 2.1 40.1 1.0
O B:HOH441 2.3 45.5 1.0
O D:PRO149 2.4 28.6 1.0
O D:HOH410 2.4 39.7 1.0
OE1 B:GLU109 2.4 36.1 1.0
O B:PRO107 2.5 30.3 1.0
CD D:GLU151 3.2 41.3 1.0
CD B:GLU109 3.2 39.5 1.0
OE2 B:GLU109 3.3 51.3 1.0
C D:PRO149 3.6 31.6 1.0
C B:PRO107 3.6 31.7 1.0
OE2 D:GLU151 3.7 40.0 1.0
O B:HOH452 3.9 45.8 1.0
CA D:ASN150 4.2 28.9 1.0
N D:GLU151 4.3 29.5 1.0
CA B:ASN108 4.3 30.0 1.0
N D:ASN150 4.3 32.0 1.0
N B:ASN108 4.4 31.1 1.0
CG D:GLU151 4.4 45.1 1.0
N B:GLU109 4.4 30.8 1.0
CA B:PRO107 4.6 30.7 1.0
CA D:PRO149 4.6 31.0 1.0
CG B:GLU109 4.7 36.6 1.0
CB B:PRO107 4.7 31.4 1.0
C D:ASN150 4.8 28.3 1.0
CB D:PRO149 4.8 32.3 1.0
C B:ASN108 4.9 31.1 1.0

Calcium binding site 8 out of 10 in 4pls

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Calcium binding site 8 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca303

b:40.8
occ:1.00
 O D:HOH436 2.0 41.0 1.0
O B:HOH443 2.3 66.8 1.0
OE1 D:GLU67 2.3 41.6 1.0
O B:PRO191 2.3 33.6 1.0
O D:PRO65 2.3 37.2 1.0
OE1 B:GLU193 2.5 39.0 1.0
CD D:GLU67 3.3 40.5 1.0
CD B:GLU193 3.4 41.3 1.0
C D:PRO65 3.5 37.5 1.0
C B:PRO191 3.5 35.0 1.0
OE2 D:GLU67 3.5 44.1 1.0
OE2 B:GLU193 3.7 50.4 1.0
CA D:ASN66 4.1 39.1 1.0
N D:GLU67 4.2 36.9 1.0
CA B:ASN192 4.2 32.5 1.0
N D:ASN66 4.2 39.6 1.0
N B:ASN192 4.2 33.7 1.0
N B:GLU193 4.3 32.4 1.0
CA D:PRO65 4.5 38.3 1.0
CA B:PRO191 4.6 35.2 1.0
CB B:PRO191 4.6 34.1 1.0
CG D:GLU67 4.6 38.9 1.0
C D:ASN66 4.7 39.3 1.0
CB D:PRO65 4.7 39.4 1.0
C B:ASN192 4.8 32.1 1.0
CG B:GLU193 4.8 40.4 1.0

Calcium binding site 9 out of 10 in 4pls

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Calcium binding site 9 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca304

b:77.2
occ:1.00
 NE2 D:GLN25 2.6 82.8 1.0
O B:PRO233 2.6 58.4 1.0
O D:PRO23 2.9 97.7 1.0
OE1 B:GLU235 3.0 75.7 1.0
OE2 B:GLU235 3.5 82.1 1.0
CD B:GLU235 3.6 79.4 1.0
CD D:GLN25 3.7 90.5 1.0
C B:PRO233 3.7 58.0 1.0
C D:PRO23 4.0 98.8 1.0
OE1 D:GLN25 4.0 86.4 1.0
CA D:ASP24 4.2 96.2 1.0
CA B:PRO233 4.4 57.4 1.0
CB B:PRO233 4.4 59.3 1.0
N D:ASP24 4.5 99.0 1.0
N D:GLN25 4.7 92.2 1.0
C D:ASP24 4.7 93.7 1.0
N B:ASN234 4.7 54.9 1.0
CA B:ASN234 4.9 55.2 1.0
CG D:GLN25 5.0 89.1 1.0

Calcium binding site 10 out of 10 in 4pls

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Calcium binding site 10 out of 10 in the Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca306

b:34.6
occ:1.00
 O D:PRO107 2.3 29.5 1.0
O D:HOH435 2.3 36.7 1.0
O B:HOH405 2.3 44.5 1.0
O B:PRO149 2.3 29.9 1.0
OE1 D:GLU109 2.4 29.5 1.0
OE2 B:GLU151 2.5 35.1 1.0
O D:HOH447 2.5 37.4 1.0
CD D:GLU109 3.3 30.0 1.0
OE2 D:GLU109 3.4 33.7 1.0
C D:PRO107 3.5 29.8 1.0
CD B:GLU151 3.5 33.4 1.0
C B:PRO149 3.5 33.1 1.0
OE1 B:GLU151 3.8 38.8 1.0
CA B:ASN150 4.2 28.4 1.0
N D:GLU109 4.2 29.3 1.0
CA D:ASN108 4.2 32.7 1.0
N B:GLU151 4.3 27.9 1.0
N B:ASN150 4.3 28.8 1.0
N D:ASN108 4.3 29.7 1.0
CA D:PRO107 4.5 29.5 1.0
CA B:PRO149 4.6 35.2 1.0
CB D:PRO107 4.6 29.2 1.0
CG D:GLU109 4.7 29.0 1.0
C D:ASN108 4.8 32.5 1.0
C B:ASN150 4.8 28.5 1.0
CB B:PRO149 4.8 37.3 1.0
CG B:GLU151 4.9 28.7 1.0

Reference:

C.Reichen, C.Madhurantakam, A.Pluckthun, P.R.Mittl. Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. Protein Sci. V. 23 1572 2014.
ISSN: ESSN 1469-896X
PubMed: 25132085
DOI: 10.1002/PRO.2535
Page generated: Sun Jul 14 12:07:38 2024

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