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

Protein crystallography data

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

Other elements in 5mfl:

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

Magnesium (Mg) 3 atoms

Calcium Binding Sites:

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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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 5mfl

Go back to Calcium Binding Sites List in 5mfl
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

Reference:

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
Page generated: Sat Dec 12 05:37:35 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy