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Calcium in PDB 7s5c: M. Xanthus Ferritin-Like Protein Encb

Protein crystallography data

The structure of M. Xanthus Ferritin-Like Protein Encb, PDB code: 7s5c was solved by E.Eren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.34 / 1.86
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.83, 68.36, 83.39, 90, 103.62, 90
R / Rfree (%) 18.9 / 22.4

Other elements in 7s5c:

The structure of M. Xanthus Ferritin-Like Protein Encb also contains other interesting chemical elements:

Iron (Fe) 19 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the M. Xanthus Ferritin-Like Protein Encb (pdb code 7s5c). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the M. Xanthus Ferritin-Like Protein Encb, PDB code: 7s5c:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 7s5c

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Calcium binding site 1 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca204

b:31.3
occ:0.34
OE2 A:GLU58 2.7 44.9 1.0
OG1 A:THR31 2.7 20.0 1.0
O B:HOH301 2.9 36.1 1.0
CA B:CA202 3.5 26.9 0.4
CB A:THR31 3.5 22.2 1.0
CA A:GLU28 3.6 22.0 1.0
CG A:ARG27 3.8 25.4 1.0
N A:GLU28 3.8 21.8 1.0
O A:ARG27 3.8 22.5 1.0
CG A:GLU28 3.9 21.4 1.0
C A:ARG27 3.9 21.5 1.0
CG2 A:THR31 3.9 27.3 1.0
CD A:GLU58 3.9 42.2 1.0
OH B:TYR35 4.0 26.2 1.0
OG1 B:THR31 4.0 20.5 1.0
CG2 B:THR31 4.0 21.5 1.0
FE A:FE201 4.3 85.5 1.0
CB A:GLU28 4.3 19.7 1.0
NE A:ARG27 4.4 23.9 1.0
CD A:ARG27 4.4 23.1 1.0
CB A:ARG27 4.5 19.0 1.0
CB B:THR31 4.6 20.9 1.0
C A:GLU28 4.7 26.9 1.0
OE1 A:GLU58 4.7 40.0 1.0
CG A:GLU58 4.8 29.9 1.0
O A:GLU28 4.8 20.1 1.0
CA A:ARG27 4.9 19.9 1.0
CA A:THR31 4.9 23.7 1.0
NE B:ARG27 4.9 25.6 1.0
NH2 B:ARG27 4.9 24.1 1.0
CZ B:TYR35 5.0 25.1 1.0

Calcium binding site 2 out of 10 in 7s5c

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Calcium binding site 2 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:26.9
occ:0.42
OG1 B:THR31 2.6 20.5 1.0
O A:HOH306 3.0 32.8 1.0
OE1 B:GLU58 3.1 47.7 1.0
CB B:THR31 3.3 20.9 1.0
CA A:CA204 3.5 31.3 0.3
CA B:GLU28 3.6 21.3 1.0
O B:ARG27 3.7 21.2 1.0
CG2 B:THR31 3.8 21.5 1.0
N B:GLU28 3.8 21.0 1.0
CG B:ARG27 3.8 19.9 1.0
C B:ARG27 3.9 17.0 1.0
CD B:GLU58 4.0 46.7 1.0
OG1 A:THR31 4.0 20.0 1.0
CG B:GLU28 4.0 21.9 1.0
CG2 A:THR31 4.0 27.3 1.0
FE B:FE201 4.1 120.2 1.0
OH A:TYR35 4.1 27.9 1.0
CB B:GLU28 4.3 22.5 1.0
NE B:ARG27 4.3 25.6 1.0
CD B:ARG27 4.4 23.4 1.0
OE2 B:GLU58 4.5 39.7 1.0
CB B:ARG27 4.5 22.4 1.0
CB A:THR31 4.6 22.2 1.0
C B:GLU28 4.7 22.0 1.0
OE2 A:GLU58 4.7 44.9 1.0
CA B:THR31 4.7 21.8 1.0
NH2 A:ARG27 4.8 21.4 1.0
NE A:ARG27 4.8 23.9 1.0
O B:GLU28 4.8 19.9 1.0
CG B:GLU58 4.8 26.3 1.0
CA B:ARG27 4.9 19.7 1.0
N B:THR31 5.0 16.8 1.0

Calcium binding site 3 out of 10 in 7s5c

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Calcium binding site 3 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca203

b:35.7
occ:0.46
OG1 E:THR31 2.7 27.8 1.0
OE1 E:GLU58 3.0 48.5 1.0
O F:HOH301 3.0 38.0 1.0
CA F:CA203 3.1 31.2 0.4
CB E:THR31 3.4 25.9 1.0
CG2 E:THR31 3.7 27.8 1.0
CA E:GLU28 3.8 25.8 1.0
FE E:FE201 3.8 98.7 1.0
O E:ARG27 3.9 25.4 1.0
CD E:GLU58 3.9 42.8 1.0
CG2 F:THR31 3.9 30.0 1.0
OG1 F:THR31 3.9 25.0 1.0
OH F:TYR35 4.0 26.4 1.0
CG E:ARG27 4.0 21.8 1.0
N E:GLU28 4.1 23.0 1.0
C E:ARG27 4.1 19.3 1.0
CG E:GLU28 4.2 25.9 1.0
NE E:ARG27 4.5 29.0 1.0
CB E:GLU28 4.5 29.1 1.0
OE1 F:GLU58 4.5 36.8 1.0
OE2 E:GLU58 4.5 35.6 1.0
CD E:ARG27 4.5 26.7 1.0
CB F:THR31 4.5 22.3 1.0
CB E:ARG27 4.7 23.9 1.0
CG E:GLU58 4.7 40.3 1.0
FE F:FE201 4.8 85.7 1.0
CA E:THR31 4.8 26.6 1.0
NE F:ARG27 4.9 26.8 1.0
C E:GLU28 4.9 26.0 1.0
OE2 F:GLU58 4.9 37.0 1.0

Calcium binding site 4 out of 10 in 7s5c

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Calcium binding site 4 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca203

b:31.2
occ:0.40
OE1 F:GLU58 2.7 36.8 1.0
OG1 F:THR31 2.7 25.0 1.0
O E:HOH310 3.0 37.6 1.0
CA E:CA203 3.1 35.7 0.5
CB F:THR31 3.4 22.3 1.0
CA F:GLU28 3.7 25.4 1.0
FE F:FE201 3.7 85.7 1.0
CD F:GLU58 3.7 51.4 1.0
CG2 F:THR31 3.8 30.0 1.0
O F:ARG27 3.8 22.4 1.0
OG1 E:THR31 3.9 27.8 1.0
N F:GLU28 3.9 22.4 1.0
CG F:GLU28 3.9 24.4 1.0
CG F:ARG27 3.9 23.2 1.0
C F:ARG27 4.0 21.3 1.0
CG2 E:THR31 4.0 27.8 1.0
OH E:TYR35 4.2 29.7 1.0
CB F:GLU28 4.4 21.1 1.0
OE2 F:GLU58 4.4 37.0 1.0
NE F:ARG27 4.4 26.8 1.0
CD F:ARG27 4.4 27.5 1.0
CB E:THR31 4.6 25.9 1.0
CB F:ARG27 4.7 22.7 1.0
CG F:GLU58 4.7 35.3 1.0
C F:GLU28 4.7 23.8 1.0
NE E:ARG27 4.8 29.0 1.0
CA F:THR31 4.8 20.7 1.0
O F:GLU28 4.9 21.6 1.0
NH2 E:ARG27 4.9 23.7 1.0

Calcium binding site 5 out of 10 in 7s5c

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Calcium binding site 5 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca203

b:35.5
occ:0.41
OG1 G:THR31 2.7 24.8 1.0
OE2 G:GLU58 2.9 55.2 1.0
CA H:CA203 3.0 30.7 0.3
O H:HOH313 3.1 43.4 1.0
CB G:THR31 3.4 26.9 1.0
CG2 G:THR31 3.7 28.7 1.0
CA G:GLU28 3.8 24.5 1.0
O G:ARG27 3.9 24.2 1.0
CD G:GLU58 3.9 54.9 1.0
CG2 H:THR31 3.9 31.1 1.0
OG1 H:THR31 4.0 27.8 1.0
FE G:FE202 4.0 119.0 1.0
CG G:ARG27 4.0 26.6 1.0
N G:GLU28 4.1 26.5 1.0
C G:ARG27 4.1 28.2 1.0
CG G:GLU28 4.2 31.4 1.0
OH H:TYR35 4.2 32.3 1.0
OE1 H:GLU58 4.5 49.2 1.0
NE G:ARG27 4.5 28.5 1.0
CB G:GLU28 4.5 27.9 1.0
CB H:THR31 4.5 30.1 1.0
OE1 G:GLU58 4.6 56.4 1.0
CD G:ARG27 4.6 30.7 1.0
FE H:FE202 4.7 110.1 1.0
CB G:ARG27 4.7 28.6 1.0
CG G:GLU58 4.8 44.4 1.0
NE H:ARG27 4.8 28.3 1.0
CA G:THR31 4.8 27.4 1.0
C G:GLU28 4.9 25.9 1.0
NH2 H:ARG27 4.9 26.4 1.0
O G:GLU28 5.0 25.6 1.0

Calcium binding site 6 out of 10 in 7s5c

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Calcium binding site 6 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca203

b:30.7
occ:0.33
OG1 H:THR31 2.7 27.8 1.0
OE1 H:GLU58 2.9 49.2 1.0
CA G:CA203 3.0 35.5 0.4
O G:HOH318 3.1 38.9 1.0
CB H:THR31 3.5 30.1 1.0
CA H:GLU28 3.7 27.1 1.0
OG1 G:THR31 3.8 24.8 1.0
CG H:ARG27 3.8 30.8 1.0
O H:ARG27 3.8 27.1 1.0
CG2 H:THR31 3.9 31.1 1.0
FE H:FE202 3.9 110.1 1.0
N H:GLU28 4.0 28.8 1.0
CD H:GLU58 4.0 50.7 1.0
CG H:GLU28 4.0 26.8 1.0
C H:ARG27 4.0 28.9 1.0
CG2 G:THR31 4.0 28.7 1.0
OH G:TYR35 4.2 33.2 1.0
NE H:ARG27 4.3 28.3 1.0
CD H:ARG27 4.3 26.3 1.0
CB H:GLU28 4.4 28.0 1.0
CB G:THR31 4.5 26.9 1.0
CB H:ARG27 4.6 23.6 1.0
OE2 H:GLU58 4.7 40.6 1.0
NE G:ARG27 4.8 28.5 1.0
C H:GLU28 4.8 23.4 1.0
OE2 G:GLU58 4.8 55.2 1.0
NH2 G:ARG27 4.9 27.0 1.0
CA H:THR31 4.9 28.6 1.0
O H:GLU28 4.9 25.0 1.0
CG H:GLU58 4.9 37.9 1.0
CA H:ARG27 5.0 22.3 1.0

Calcium binding site 7 out of 10 in 7s5c

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Calcium binding site 7 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ca203

b:37.3
occ:0.46
OG1 I:THR31 2.7 27.8 1.0
O J:HOH307 3.0 40.3 1.0
OE1 I:GLU58 3.1 43.9 1.0
CA J:CA202 3.2 36.9 0.4
CB I:THR31 3.4 22.4 1.0
CG2 I:THR31 3.7 27.3 1.0
CG I:ARG27 3.8 29.0 1.0
CA I:GLU28 3.8 27.5 1.0
OG1 J:THR31 3.9 27.2 1.0
O I:ARG27 3.9 27.8 1.0
FE I:FE202 3.9 100.8 1.0
CG2 J:THR31 4.0 25.9 1.0
C I:ARG27 4.1 28.9 1.0
N I:GLU28 4.1 27.1 1.0
CD I:GLU58 4.1 56.6 1.0
CG I:GLU28 4.2 32.1 1.0
OH J:TYR35 4.2 35.1 1.0
NE I:ARG27 4.3 26.3 1.0
CD I:ARG27 4.3 31.9 1.0
CB I:GLU28 4.5 31.8 1.0
CB J:THR31 4.6 27.3 1.0
NE J:ARG27 4.6 26.5 1.0
CB I:ARG27 4.6 24.7 1.0
NH2 J:ARG27 4.7 28.1 1.0
OE1 J:GLU58 4.8 45.7 1.0
CA I:THR31 4.8 25.0 1.0
OE2 I:GLU58 4.9 46.1 1.0
C I:GLU28 4.9 27.8 1.0
FE J:FE201 4.9 108.8 1.0
CG I:GLU58 4.9 40.1 1.0
CA I:ARG27 5.0 28.2 1.0

Calcium binding site 8 out of 10 in 7s5c

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Calcium binding site 8 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Ca202

b:36.9
occ:0.37
OE1 J:GLU58 2.6 45.7 1.0
OG1 J:THR31 2.7 27.2 1.0
O I:HOH313 2.9 34.4 1.0
CA I:CA203 3.2 37.3 0.5
CB J:THR31 3.4 27.3 1.0
CA J:GLU28 3.6 22.6 1.0
CD J:GLU58 3.6 47.3 1.0
CG2 J:THR31 3.7 25.9 1.0
FE J:FE201 3.8 108.8 1.0
O J:ARG27 3.8 25.3 1.0
N J:GLU28 3.9 23.4 1.0
CG J:GLU28 3.9 27.9 1.0
C J:ARG27 4.0 25.2 1.0
CG J:ARG27 4.0 29.0 1.0
OH I:TYR35 4.1 30.6 1.0
CG2 I:THR31 4.2 27.3 1.0
OG1 I:THR31 4.2 27.8 1.0
CB J:GLU28 4.3 22.8 1.0
OE2 J:GLU58 4.3 41.8 1.0
CG J:GLU58 4.5 29.7 1.0
CD J:ARG27 4.6 31.0 1.0
NE J:ARG27 4.6 26.5 1.0
C J:GLU28 4.7 25.6 1.0
CB J:ARG27 4.7 26.3 1.0
CA J:THR31 4.8 26.3 1.0
O J:GLU28 4.8 25.2 1.0
CB I:THR31 4.8 22.4 1.0
OE1 I:GLU58 4.9 43.9 1.0
FE I:FE202 4.9 100.8 1.0
NE I:ARG27 5.0 26.3 1.0

Calcium binding site 9 out of 10 in 7s5c

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Calcium binding site 9 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca201

b:30.0
occ:0.40
OG1 C:THR31 2.7 26.8 1.0
OE1 C:GLU58 2.9 57.1 1.0
O D:HOH304 3.1 34.3 1.0
CA D:CA205 3.2 30.5 0.4
CB C:THR31 3.4 24.0 1.0
CG2 C:THR31 3.7 30.1 1.0
CA C:GLU28 3.8 25.4 1.0
OG1 D:THR31 3.8 24.2 1.0
O C:ARG27 3.9 20.6 1.0
FE D:FE202 3.9 114.9 1.0
CG C:ARG27 3.9 25.9 1.0
CD C:GLU58 4.0 52.7 1.0
CG2 D:THR31 4.0 21.6 1.0
N C:GLU28 4.1 18.5 1.0
C C:ARG27 4.1 20.4 1.0
OH D:TYR35 4.1 31.2 1.0
CG C:GLU28 4.2 23.1 1.0
NE C:ARG27 4.4 26.0 1.0
CD C:ARG27 4.4 25.6 1.0
CB D:THR31 4.6 21.8 1.0
CB C:GLU28 4.6 25.9 1.0
OE2 C:GLU58 4.6 50.5 1.0
CB C:ARG27 4.7 21.2 1.0
NE D:ARG27 4.7 28.8 1.0
OE1 D:GLU58 4.8 36.5 1.0
CA C:THR31 4.8 24.8 1.0
FE D:FE201 4.8 100.5 1.0
NH2 D:ARG27 4.8 25.2 1.0
C C:GLU28 4.9 24.0 1.0
CG C:GLU58 4.9 35.5 1.0
O C:GLU28 5.0 21.7 1.0

Calcium binding site 10 out of 10 in 7s5c

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Calcium binding site 10 out of 10 in the M. Xanthus Ferritin-Like Protein Encb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of M. Xanthus Ferritin-Like Protein Encb within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca205

b:30.5
occ:0.38
OE1 D:GLU58 2.7 36.5 1.0
OG1 D:THR31 2.8 24.2 1.0
O C:HOH313 3.0 29.3 1.0
CA C:CA201 3.2 30.0 0.4
CB D:THR31 3.4 21.8 1.0
CA D:GLU28 3.6 24.7 1.0
CD D:GLU58 3.7 47.8 1.0
FE D:FE201 3.7 100.5 1.0
CG2 D:THR31 3.7 21.6 1.0
O D:ARG27 3.9 23.7 1.0
N D:GLU28 3.9 22.6 1.0
CG D:GLU28 4.0 31.1 1.0
C D:ARG27 4.0 23.6 1.0
CG D:ARG27 4.0 26.8 1.0
OG1 C:THR31 4.0 26.8 1.0
OH C:TYR35 4.1 31.2 1.0
CG2 C:THR31 4.1 30.1 1.0
CB D:GLU28 4.3 23.9 1.0
OE2 D:GLU58 4.4 38.5 1.0
NE D:ARG27 4.5 28.8 1.0
CD D:ARG27 4.5 31.2 1.0
CG D:GLU58 4.7 32.5 1.0
CB D:ARG27 4.7 24.8 1.0
C D:GLU28 4.7 26.0 1.0
CB C:THR31 4.7 24.0 1.0
O D:GLU28 4.8 23.5 1.0
CA D:THR31 4.8 22.9 1.0
OE1 C:GLU58 4.9 57.1 1.0
NE C:ARG27 5.0 26.0 1.0

Reference:

E.Eren, B.Wang, D.C.Winkler, N.R.Watts, A.C.Steven, P.T.Wingfield. Structural Characterization of the Myxococcus Xanthus Encapsulin and Ferritin-Like Cargo System Gives Insight Into Its Iron Storage Mechanism. Structure V. 30 551 2022.
ISSN: ISSN 0969-2126
PubMed: 35150605
DOI: 10.1016/J.STR.2022.01.008
Page generated: Fri Jul 19 03:54:35 2024

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