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

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

Resolution Low / High (Å)	44.56 / 2.10
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	116.054, 116.054, 86.932, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 24.8

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 4plr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 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: 4plr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 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:86.3 occ:1.00 O A:HOH432 2.5 64.3 1.0 O A:PRO23 2.5 55.2 1.0 OE1 A:GLN25 3.0 61.1 1.0 C A:PRO23 3.7 52.3 1.0 CD A:GLN25 3.8 57.7 1.0 NE2 A:GLN25 3.9 58.5 1.0 CA A:ASP24 4.3 49.5 1.0 N A:ASP24 4.4 42.5 1.0 N A:GLN25 4.5 35.9 1.0 CA A:PRO23 4.7 54.9 1.0 CB A:PRO23 4.9 51.8 1.0 C A:ASP24 5.0 45.5 1.0

Calcium binding site 2 out of 8 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:45.9 occ:1.00 O A:PRO65 2.4 41.7 1.0 O A:HOH431 2.5 48.5 1.0 OE1 A:GLU67 2.5 47.0 1.0 O A:HOH410 2.5 39.4 1.0 CD A:GLU67 3.4 54.1 1.0 OE2 A:GLU67 3.6 57.5 1.0 C A:PRO65 3.6 46.1 1.0 CA A:ASN66 4.2 38.7 1.0 N A:ASN66 4.3 38.8 1.0 N A:GLU67 4.4 32.6 1.0 O A:HOH514 4.7 47.5 1.0 CA A:PRO65 4.8 47.6 1.0 CG A:GLU67 4.8 47.8 1.0 C A:ASN66 4.9 40.8 1.0 CB A:PRO65 4.9 46.6 1.0

Calcium binding site 3 out of 8 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:60.5 occ:0.50 O A:PRO107 2.4 47.4 1.0 O A:HOH414 2.4 58.0 1.0 OE1 A:GLU109 2.6 53.6 1.0 CD A:GLU109 3.4 55.5 1.0 OE2 A:GLU109 3.5 70.7 1.0 C A:PRO107 3.5 44.3 1.0 CA A:ASN108 4.3 40.9 1.0 N A:ASN108 4.3 43.9 1.0 N A:GLU109 4.4 36.6 1.0 CA A:PRO107 4.6 46.3 1.0 CB A:PRO107 4.7 43.2 1.0 CG A:GLU109 4.8 45.6 1.0 C A:ASN108 4.9 36.3 1.0

Calcium binding site 4 out of 8 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:49.0 occ:1.00 O A:SER124 2.4 47.0 1.0 OE1 B:GLU44 2.4 64.2 1.0 O A:HOH480 2.4 31.7 1.0 O A:HOH482 2.5 50.7 1.0 O A:HOH483 2.5 45.7 1.0 O B:HOH489 2.5 38.3 1.0 O B:HOH490 2.7 55.0 1.0 C A:SER124 3.5 42.2 1.0 CD B:GLU44 3.6 65.2 1.0 CA A:GLY125 3.9 42.8 1.0 N A:GLY125 4.2 41.2 1.0 O A:HOH473 4.3 33.3 1.0 OE2 B:GLU44 4.3 73.9 1.0 C A:GLY125 4.4 51.4 1.0 CA B:GLU44 4.4 38.2 1.0 O A:HOH499 4.4 56.3 1.0 CB B:GLU44 4.5 47.6 1.0 O B:HOH433 4.5 44.2 1.0 O A:GLY125 4.5 47.4 1.0 O B:HOH462 4.5 66.5 1.0 OD1 A:ASN85 4.5 40.8 1.0 CG B:GLU44 4.6 56.4 1.0 O A:HOH486 4.6 55.0 1.0 CA A:SER124 4.7 45.4 1.0 CB A:SER124 4.7 46.5 1.0 OG A:SER124 4.8 41.2 1.0 N B:GLU44 4.9 37.9 1.0

Calcium binding site 5 out of 8 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 B:Ca301 b:84.8 occ:1.00 O B:PRO191 2.4 45.1 1.0 OE2 B:GLU193 2.5 62.7 1.0 OE1 B:GLU193 2.8 63.6 1.0 CD B:GLU193 3.0 61.0 1.0 C B:PRO191 3.6 39.4 1.0 CG B:GLU193 4.5 53.6 1.0 N B:ASN192 4.5 44.6 1.0 N B:GLU193 4.5 38.4 1.0 CA B:ASN192 4.6 38.8 1.0 CA B:PRO191 4.6 41.7 1.0 CB B:PRO191 4.8 46.0 1.0

Calcium binding site 6 out of 8 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:Ca302 b:49.3 occ:1.00 O B:PRO149 2.3 46.9 1.0 O B:HOH405 2.5 53.0 1.0 OE1 B:GLU151 2.6 41.2 1.0 CD B:GLU151 3.4 43.2 1.0 C B:PRO149 3.5 44.1 1.0 OE2 B:GLU151 3.5 55.1 1.0 CA B:ASN150 4.1 42.2 1.0 N B:ASN150 4.2 43.0 1.0 N B:GLU151 4.3 35.0 1.0 CA B:PRO149 4.6 42.9 1.0 CB B:PRO149 4.7 42.5 1.0 C B:ASN150 4.7 39.9 1.0 CG B:GLU151 4.8 38.5 1.0

Calcium binding site 7 out of 8 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:Ca303 b:54.4 occ:0.50 O B:PRO107 2.4 50.4 1.0 OE1 B:GLU109 2.5 50.2 1.0 O B:HOH419 2.6 68.6 1.0 CD B:GLU109 3.3 46.2 1.0 OE2 B:GLU109 3.4 47.9 1.0 C B:PRO107 3.5 42.9 1.0 CA B:ASN108 4.1 34.6 1.0 N B:ASN108 4.2 36.2 1.0 N B:GLU109 4.3 38.4 1.0 CA B:PRO107 4.6 43.3 1.0 C B:ASN108 4.7 35.2 1.0 CG B:GLU109 4.7 38.5 1.0 CB B:PRO107 4.8 42.8 1.0

Calcium binding site 8 out of 8 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:Ca304 b:47.3 occ:1.00 O B:SER124 2.3 41.4 1.0 O B:HOH484 2.4 41.9 1.0 OE1 A:GLU44 2.4 54.0 1.0 O B:HOH485 2.4 38.6 1.0 O B:HOH483 2.5 36.4 1.0 O A:HOH478 2.6 38.0 1.0 O A:HOH485 2.7 43.3 1.0 C B:SER124 3.4 38.8 1.0 CD A:GLU44 3.6 56.3 1.0 CA B:GLY125 3.8 44.8 1.0 N B:GLY125 4.0 40.7 1.0 O B:HOH474 4.2 39.7 1.0 C B:GLY125 4.3 48.0 1.0 O A:HOH458 4.3 49.7 1.0 OE2 A:GLU44 4.3 67.1 1.0 O B:GLY125 4.4 41.9 1.0 CA B:SER124 4.5 45.0 1.0 CA A:GLU44 4.5 38.4 1.0 CB B:SER124 4.5 41.0 1.0 OG B:SER124 4.5 42.5 1.0 CB A:GLU44 4.5 43.8 1.0 O A:HOH439 4.5 35.5 1.0 OD1 B:ASN85 4.6 43.1 1.0 CG A:GLU44 4.7 53.1 1.0 N A:GLU44 4.9 39.5 1.0

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