Calcium in PDB 5mfl: Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII

The structure of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII, PDB code: 5mfl was solved by S.Hansen, P.Ernst, C.Reichen, C.Ewald, P.Mittl, A.Plueckthun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.56 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.100, 93.100, 188.480, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 25.5

The structure of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

Pages:

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

Binding sites:

The binding sites of Calcium atom in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII (pdb code 5mfl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 11 binding sites of Calcium where determined in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII, PDB code: 5mfl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:94.2 occ:1.00 O A:PRO65 2.1 95.5 1.0 O B:PRO233 2.2 90.0 1.0 OE1 A:GLU67 2.3 0.7 1.0 OE1 B:GLU235 3.1 0.6 1.0 C A:PRO65 3.3 97.3 1.0 CD A:GLU67 3.3 0.4 1.0 OE2 B:GLU235 3.4 0.7 1.0 C B:PRO233 3.5 89.4 1.0 CD B:GLU235 3.5 0.3 1.0 OE2 A:GLU67 3.7 0.8 1.0 N A:ASN66 4.1 93.5 1.0 CA A:ASN66 4.1 91.8 1.0 CA B:ASN234 4.3 79.9 1.0 N B:ASN234 4.3 82.3 1.0 N A:GLU67 4.3 86.0 1.0 CA A:PRO65 4.4 96.0 1.0 N B:GLU235 4.5 79.3 1.0 CA B:PRO233 4.5 88.8 1.0 CB A:PRO65 4.5 99.8 1.0 CB B:PRO233 4.6 93.2 1.0 CG A:GLU67 4.7 92.2 1.0 C A:ASN66 4.7 92.5 1.0 CG B:GLU235 4.9 97.1 1.0 C B:ASN234 4.9 82.2 1.0

Calcium binding site 2 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:67.9 occ:1.00 O B:PRO149 2.4 55.1 1.0 O A:PRO149 2.4 58.1 1.0 OE1 A:GLU151 2.5 65.5 1.0 OE1 B:GLU151 2.8 67.7 1.0 CD A:GLU151 3.4 81.2 1.0 C B:PRO149 3.4 54.2 1.0 OE2 A:GLU151 3.6 81.2 1.0 C A:PRO149 3.6 58.4 1.0 CD B:GLU151 3.6 78.8 1.0 OE2 B:GLU151 3.8 78.2 1.0 N B:ASN150 4.3 49.0 1.0 CB B:PRO149 4.3 53.6 1.0 CA B:ASN150 4.3 47.6 1.0 CA B:PRO149 4.4 50.5 1.0 CA A:PRO149 4.5 56.0 1.0 CB A:PRO149 4.5 58.5 1.0 N A:ASN150 4.5 53.0 1.0 N A:GLU151 4.6 49.8 1.0 CA A:ASN150 4.6 51.2 1.0 N B:GLU151 4.6 47.9 1.0 CG A:GLU151 4.8 60.4 1.0

Calcium binding site 3 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:61.6 occ:1.00 O A:HOH510 2.1 44.2 1.0 O A:PRO191 2.3 48.1 1.0 O B:PRO107 2.4 54.4 1.0 OE1 B:GLU109 2.6 70.4 1.0 OE1 A:GLU193 2.6 59.5 1.0 O B:HOH538 2.7 70.7 1.0 CD B:GLU109 3.4 75.1 1.0 C A:PRO191 3.5 48.2 1.0 C B:PRO107 3.5 54.2 1.0 CD A:GLU193 3.5 71.0 1.0 OE2 B:GLU109 3.6 69.3 1.0 OE2 A:GLU193 3.8 67.3 1.0 CA A:ASN192 4.3 41.8 1.0 N A:ASN192 4.3 42.9 1.0 N B:ASN108 4.3 48.3 1.0 CA B:ASN108 4.4 47.0 1.0 N A:GLU193 4.4 42.3 1.0 CA B:PRO107 4.5 53.5 1.0 CA A:PRO191 4.5 45.8 1.0 CB B:PRO107 4.5 56.5 1.0 CB A:PRO191 4.6 48.2 1.0 N B:GLU109 4.6 46.1 1.0 CG B:GLU109 4.8 56.9 1.0 C A:ASN192 4.9 45.5 1.0 CG A:GLU193 4.9 52.7 1.0 C B:ASN108 5.0 49.7 1.0

Calcium binding site 4 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:66.0 occ:1.00 O B:PRO23 2.3 67.5 1.0 O A:PRO275 2.4 57.2 1.0 OE2 A:GLU277 2.6 75.7 1.0 OE1 A:GLU277 2.7 74.9 1.0 CD A:GLU277 3.0 81.5 1.0 C B:PRO23 3.3 67.9 1.0 C A:PRO275 3.6 56.5 1.0 O C:HOH505 3.9 38.9 1.0 N B:ASP24 4.1 64.7 1.0 CA B:ASP24 4.2 64.0 1.0 CA B:PRO23 4.3 64.1 1.0 CA A:PRO275 4.3 53.5 1.0 CB B:PRO23 4.4 66.9 1.0 CB A:PRO275 4.5 56.2 1.0 CG A:GLU277 4.5 66.1 1.0 N B:GLN25 4.6 63.1 1.0 N A:ASN276 4.6 51.2 1.0 O A:HOH505 4.7 51.7 1.0 N A:GLU277 4.9 54.2 1.0 O A:HOH544 4.9 41.3 1.0 CA A:ASN276 4.9 50.7 1.0 C B:ASP24 4.9 67.4 1.0

Calcium binding site 5 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:77.7 occ:1.00 OE1 B:GLU193 2.3 80.0 1.0 O A:PRO107 2.3 70.2 1.0 O B:PRO191 2.4 74.5 1.0 OE1 A:GLU109 2.6 79.1 1.0 CD B:GLU193 3.2 94.5 1.0 C B:PRO191 3.5 73.2 1.0 C A:PRO107 3.5 71.6 1.0 OE2 B:GLU193 3.5 90.3 1.0 CD A:GLU109 3.6 89.0 1.0 OE2 A:GLU109 3.9 86.1 1.0 N B:ASN192 4.3 66.5 1.0 CA B:ASN192 4.3 64.1 1.0 N A:ASN108 4.4 68.1 1.0 N B:GLU193 4.4 63.2 1.0 CA B:PRO191 4.4 70.6 1.0 CA A:ASN108 4.4 67.1 1.0 CA A:PRO107 4.5 69.4 1.0 CB B:PRO191 4.5 74.0 1.0 CB A:PRO107 4.5 72.7 1.0 N A:GLU109 4.5 64.5 1.0 CG B:GLU193 4.6 77.1 1.0 C B:ASN192 4.9 66.5 1.0 CG A:GLU109 5.0 70.7 1.0

Calcium binding site 6 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:65.0 occ:1.00 O A:HOH518 2.3 45.6 1.0 O A:PRO233 2.3 53.1 1.0 O B:PRO65 2.4 53.4 1.0 OE1 B:GLU67 2.5 62.6 1.0 O B:HOH545 2.6 49.4 1.0 OE1 A:GLU235 2.7 60.5 1.0 CD B:GLU67 3.2 75.9 1.0 C A:PRO233 3.3 53.0 1.0 OE2 B:GLU67 3.3 74.2 1.0 O B:HOH540 3.5 49.4 1.0 C B:PRO65 3.6 53.4 1.0 CD A:GLU235 3.8 75.9 1.0 N A:ASN234 4.0 48.2 1.0 OE2 A:GLU235 4.1 71.7 1.0 CB A:PRO233 4.2 53.2 1.0 CA A:ASN234 4.2 47.2 1.0 CA A:PRO233 4.2 50.9 1.0 N A:GLU235 4.4 46.6 1.0 N B:ASN66 4.5 49.2 1.0 CA B:ASN66 4.6 48.5 1.0 CA B:PRO65 4.6 51.1 1.0 N B:GLU67 4.6 50.6 1.0 CB B:PRO65 4.6 53.9 1.0 CG B:GLU67 4.7 59.7 1.0 C A:ASN234 4.8 50.5 1.0

Calcium binding site 7 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:0.7 occ:1.00 OE1 B:GLU277 2.7 0.7 1.0 OE2 B:GLU277 2.8 0.6 1.0 O B:PRO275 2.8 0.3 1.0 O A:PRO23 2.8 0.5 1.0 CD B:GLU277 3.1 0.6 1.0 C A:PRO23 3.6 0.6 1.0 C B:PRO275 3.8 0.7 1.0 CB A:PRO23 4.1 0.0 1.0 CA B:PRO275 4.2 0.9 1.0 CA A:PRO23 4.3 0.2 1.0 N A:ASP24 4.4 0.4 1.0 CB B:PRO275 4.5 0.6 1.0 CG B:GLU277 4.6 0.2 1.0 CA A:ASP24 4.6 0.8 1.0 N B:ASN276 5.0 0.7 1.0

Calcium binding site 8 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:57.1 occ:1.00 O C:PRO191 2.4 50.5 1.0 OE1 C:GLU193 2.5 69.5 1.0 O C:HOH501 2.6 46.4 1.0 CD C:GLU193 3.4 73.3 1.0 C C:PRO191 3.5 50.8 1.0 OE2 C:GLU193 3.8 64.5 1.0 N C:ASN192 4.3 46.8 1.0 CA C:ASN192 4.3 46.0 1.0 N C:GLU193 4.4 46.1 1.0 CA C:PRO191 4.5 47.8 1.0 CB C:PRO191 4.6 49.9 1.0 CG C:GLU193 4.8 54.4 1.0 C C:ASN192 4.9 49.0 1.0

Calcium binding site 9 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:75.7 occ:0.64 O C:PRO149 2.9 50.5 1.0 OE1 C:GLU151 3.7 63.7 1.0 C C:PRO149 3.8 49.9 1.0 CB C:PRO149 4.3 50.2 1.0 N C:ASN150 4.5 44.5 1.0 CA C:ASN150 4.5 43.3 1.0 CA C:PRO149 4.7 48.0 1.0 CD C:GLU151 4.8 69.6 1.0

Calcium binding site 10 out of 11 in the Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Designed Armadillo Repeat Protein (Kr)5_GS10_YIIIM6AII within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca403 b:71.5 occ:1.00 O C:PRO275 2.3 65.5 1.0 OE1 C:GLU277 2.5 89.9 1.0 OE2 C:GLU277 3.1 95.8 1.0 CD C:GLU277 3.2 97.7 1.0 C C:PRO275 3.5 65.3 1.0 N C:ASN276 4.4 60.3 1.0 CA C:PRO275 4.5 62.7 1.0 CA C:ASN276 4.5 59.5 1.0 N C:GLU277 4.6 59.7 1.0 CB C:PRO275 4.7 65.0 1.0 CG C:GLU277 4.7 74.7 1.0

S.Hansen, P.Ernst, S.L.B.Konig, C.Reichen, C.Ewald, D.Nettels, P.R.E.Mittl, B.Schuler, A.Pluckthun. Curvature of Designed Armadillo Repeat Proteins Allows Modular Peptide Binding. J. Struct. Biol. V. 201 108 2018.
ISSN: ESSN 1095-8657
PubMed: 28864298
DOI: 10.1016/J.JSB.2017.08.009