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Calcium in PDB 5m86: Crystal Structure of the Thermoplasma Acidophilum Protein TA1207

Protein crystallography data

The structure of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207, PDB code: 5m86 was solved by G.R.Pathare, I.Nagy, A.Bracher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.66 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 228.639, 112.821, 221.328, 90.00, 118.70, 90.00
R / Rfree (%) 17.7 / 20.3

Other elements in 5m86:

The structure of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 also contains other interesting chemical elements:

Chlorine (Cl) 10 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 (pdb code 5m86). 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 Structure of the Thermoplasma Acidophilum Protein TA1207, PDB code: 5m86:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 5m86

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Calcium binding site 1 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:60.0
occ:1.00
OD2 A:ASP219 2.4 49.5 1.0
OG1 A:THR221 2.5 47.9 1.0
OD1 A:ASP219 2.5 50.0 1.0
HD22 J:ASN247 2.6 82.8 1.0
CG A:ASP219 2.7 48.3 1.0
HD21 J:ASN247 3.1 82.8 1.0
ND2 J:ASN247 3.1 69.0 1.0
O A:HOH518 3.3 61.9 1.0
HB A:THR221 3.4 59.1 1.0
CB A:THR221 3.5 49.3 1.0
OD2 J:ASP220 3.9 52.2 1.0
H A:THR221 4.0 54.4 1.0
HG21 A:THR221 4.0 62.0 1.0
CB A:ASP219 4.1 45.1 1.0
HA J:ASN247 4.2 67.9 1.0
CG J:ASN247 4.2 67.3 1.0
HB3 A:ASP219 4.3 54.1 1.0
HD22 A:ASN247 4.3 56.3 1.0
HD21 A:ASN196 4.3 90.0 1.0
CG2 A:THR221 4.3 51.6 1.0
OD1 J:ASP220 4.3 50.3 1.0
HB3 J:ASN247 4.5 72.9 1.0
HB2 A:ASP219 4.5 54.1 1.0
CG J:ASP220 4.5 50.5 1.0
N A:THR221 4.6 45.4 1.0
CA A:THR221 4.7 49.5 1.0
ND2 A:ASN196 4.7 75.0 1.0
HG23 A:THR221 4.7 62.0 1.0
CB J:ASN247 4.8 60.8 1.0
HD22 A:ASN196 4.8 90.0 1.0
HE2 J:LYS244 4.8 77.5 1.0
HD21 A:ASN247 4.9 56.3 1.0
ND2 A:ASN247 4.9 47.0 1.0
O J:HOH502 4.9 48.3 1.0
CA J:ASN247 5.0 56.6 1.0

Calcium binding site 2 out of 10 in 5m86

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Calcium binding site 2 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca401

b:59.3
occ:1.00
OG1 B:THR221 2.3 54.9 1.0
O B:HOH511 2.4 47.8 1.0
O B:HOH569 2.4 65.0 1.0
OD1 B:ASP219 2.4 50.6 1.0
OD2 B:ASP219 2.5 51.5 1.0
OD1 I:ASP220 2.7 60.9 1.0
CG B:ASP219 2.8 49.7 1.0
OD2 I:ASP220 3.1 60.5 1.0
CG I:ASP220 3.2 59.8 1.0
CB B:THR221 3.5 55.7 1.0
HB B:THR221 3.5 66.8 1.0
H B:THR221 3.7 67.7 1.0
HD22 B:ASN247 3.8 89.0 1.0
O B:HOH520 3.8 40.4 1.0
HG21 B:THR221 4.3 67.3 1.0
HB2 I:ASN247 4.3 76.2 1.0
CB B:ASP219 4.3 48.8 1.0
O I:HOH501 4.3 67.1 1.0
N B:THR221 4.4 56.4 1.0
CG2 B:THR221 4.5 56.1 1.0
ND2 B:ASN247 4.5 74.2 1.0
CA B:THR221 4.5 57.2 1.0
HD21 B:ASN247 4.6 89.0 1.0
HB3 B:ASP219 4.6 58.6 1.0
CB I:ASP220 4.7 58.1 1.0
HB2 B:ASP219 4.7 58.6 1.0
HG23 B:THR221 4.8 67.3 1.0
HA B:THR221 4.8 68.6 1.0
HB2 I:ASP220 4.8 69.7 1.0
OD1 B:ASP220 4.9 59.4 1.0
HA I:ASN247 4.9 71.2 1.0
C I:ASP220 5.0 59.5 1.0

Calcium binding site 3 out of 10 in 5m86

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Calcium binding site 3 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca401

b:54.5
occ:1.00
OG1 C:THR221 2.4 55.6 1.0
O C:HOH559 2.4 49.2 1.0
O C:HOH513 2.4 48.8 1.0
O H:HOH525 2.4 61.7 1.0
OD1 C:ASP219 2.4 46.5 1.0
OD2 C:ASP219 2.5 49.0 1.0
OD1 H:ASP220 2.6 59.2 1.0
CG C:ASP219 2.8 47.2 1.0
OD2 H:ASP220 3.2 60.6 1.0
CG H:ASP220 3.2 58.6 1.0
HD22 C:ASN247 3.5 0.6 1.0
CB C:THR221 3.6 54.7 1.0
H C:THR221 3.7 63.4 1.0
HB C:THR221 3.7 65.6 1.0
O H:HOH508 4.1 54.2 1.0
ND2 C:ASN247 4.3 83.8 1.0
N C:THR221 4.3 52.9 1.0
CB C:ASP219 4.4 45.1 1.0
HD21 C:ASN247 4.4 0.6 1.0
HB2 H:ASN247 4.5 71.2 1.0
HG21 C:THR221 4.5 64.5 1.0
CA C:THR221 4.5 55.0 1.0
CG2 C:THR221 4.6 53.7 1.0
CB H:ASP220 4.6 55.6 1.0
OD1 C:ASP220 4.6 55.0 1.0
HB3 C:ASP219 4.7 54.1 1.0
HB2 C:ASN247 4.7 91.2 1.0
HA C:THR221 4.7 66.0 1.0
HB2 C:ASP219 4.8 54.1 1.0
HB2 H:ASP220 4.8 66.8 1.0
O H:ASP220 4.8 57.4 1.0
HA H:THR221 4.8 63.4 1.0
C H:ASP220 4.8 54.0 1.0
HG23 C:THR221 4.9 64.5 1.0
H C:ASP220 4.9 57.8 1.0

Calcium binding site 4 out of 10 in 5m86

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Calcium binding site 4 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca401

b:43.3
occ:1.00
OG1 D:THR221 2.3 44.9 1.0
O D:HOH502 2.4 38.8 1.0
OD1 D:ASP219 2.4 41.8 1.0
O D:HOH584 2.4 40.5 1.0
O D:HOH604 2.4 37.6 1.0
OD2 D:ASP219 2.6 40.6 1.0
OD1 G:ASP220 2.6 49.8 1.0
CG D:ASP219 2.8 41.2 1.0
OD2 G:ASP220 2.9 49.3 1.0
CG G:ASP220 3.1 49.5 1.0
H D:THR221 3.4 47.9 1.0
CB D:THR221 3.5 43.9 1.0
HD22 D:ASN247 3.5 87.8 1.0
HB D:THR221 3.5 52.7 1.0
N D:THR221 4.1 39.9 1.0
O D:HOH535 4.2 31.2 1.0
ND2 D:ASN247 4.3 73.2 1.0
CA D:THR221 4.3 41.9 1.0
CB D:ASP219 4.4 39.4 1.0
OD1 D:ASP220 4.4 44.6 1.0
HG21 D:THR221 4.5 52.6 1.0
CB G:ASP220 4.5 48.2 1.0
HD21 D:ASN247 4.5 87.8 1.0
HA D:THR221 4.5 50.2 1.0
CG2 D:THR221 4.5 43.9 1.0
HB2 D:ASN247 4.6 76.2 1.0
HB2 G:ASP220 4.7 57.8 1.0
HB3 D:ASP219 4.7 47.3 1.0
H D:ASP220 4.7 43.1 1.0
HB2 D:ASP219 4.8 47.3 1.0
HG23 D:THR221 4.8 52.6 1.0
N D:ASP220 4.9 36.0 1.0
HA G:ASN247 4.9 59.5 1.0
HZ3 G:LYS244 5.0 88.7 1.0
C G:ASP220 5.0 48.3 1.0

Calcium binding site 5 out of 10 in 5m86

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Calcium binding site 5 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca401

b:66.3
occ:1.00
O F:HOH560 2.3 79.2 1.0
OG1 E:THR221 2.4 55.9 1.0
OD2 E:ASP219 2.4 54.2 1.0
OD1 E:ASP219 2.4 59.1 1.0
CG E:ASP219 2.7 55.4 1.0
O E:HOH569 3.0 48.0 1.0
HB E:THR221 3.5 70.9 1.0
CB E:THR221 3.5 59.1 1.0
OD2 F:ASP220 3.6 55.8 1.0
H E:THR221 3.9 72.1 1.0
OD1 F:ASP220 4.0 54.1 1.0
HD22 E:ASN247 4.1 70.2 1.0
HG21 E:THR221 4.1 70.0 1.0
HB2 F:ASN247 4.1 88.7 1.0
CB E:ASP219 4.2 53.8 1.0
CG F:ASP220 4.2 52.7 1.0
HA F:ASN247 4.3 82.8 1.0
HB3 F:ASN247 4.4 88.7 1.0
CG2 E:THR221 4.4 58.3 1.0
HB3 E:ASP219 4.4 64.6 1.0
HB2 E:ASP219 4.5 64.6 1.0
N E:THR221 4.5 60.1 1.0
CA E:THR221 4.6 61.2 1.0
CB F:ASN247 4.6 73.9 1.0
HD21 E:ASN247 4.7 70.2 1.0
ND2 E:ASN247 4.7 58.5 1.0
HG23 E:THR221 4.7 70.0 1.0
HE2 F:LYS244 4.8 88.5 1.0
HA E:THR221 4.9 73.5 1.0
CA F:ASN247 5.0 69.0 1.0

Calcium binding site 6 out of 10 in 5m86

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Calcium binding site 6 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca401

b:61.4
occ:1.00
OG1 F:THR221 2.3 55.0 1.0
O F:HOH558 2.3 53.3 1.0
OD1 F:ASP219 2.4 49.9 1.0
OD2 F:ASP219 2.5 46.1 1.0
OD1 E:ASP220 2.6 61.8 1.0
CG F:ASP219 2.8 45.6 1.0
OD2 E:ASP220 3.0 59.1 1.0
CG E:ASP220 3.1 60.3 1.0
HD22 F:ASN247 3.4 92.2 1.0
H F:THR221 3.5 60.6 1.0
CB F:THR221 3.6 53.7 1.0
HB F:THR221 3.7 64.5 1.0
HB2 E:ASN247 4.1 65.5 1.0
N F:THR221 4.2 50.5 1.0
ND2 F:ASN247 4.2 76.8 1.0
O F:HOH534 4.4 49.4 1.0
CA F:THR221 4.4 52.6 1.0
CB F:ASP219 4.4 42.8 1.0
HD21 F:ASN247 4.4 92.2 1.0
OD1 F:ASP220 4.4 54.1 1.0
HG21 F:THR221 4.5 65.4 1.0
CG2 F:THR221 4.6 54.5 1.0
CB E:ASP220 4.6 59.0 1.0
HA F:THR221 4.6 63.2 1.0
HB2 F:ASN247 4.6 88.7 1.0
HB3 F:ASP219 4.7 51.3 1.0
HA E:ASN247 4.7 64.0 1.0
HB2 E:ASP220 4.8 70.8 1.0
H F:ASP220 4.8 52.6 1.0
HB2 F:ASP219 4.8 51.3 1.0
HG23 F:THR221 4.8 65.4 1.0
CB E:ASN247 4.8 54.6 1.0
HB3 E:ASN247 4.9 65.5 1.0
N F:ASP220 5.0 43.9 1.0
C E:ASP220 5.0 60.3 1.0

Calcium binding site 7 out of 10 in 5m86

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Calcium binding site 7 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca401

b:57.1
occ:1.00
O G:HOH585 2.4 50.1 1.0
OG1 G:THR221 2.4 41.7 1.0
OD2 G:ASP219 2.4 42.1 1.0
OD1 G:ASP219 2.5 46.9 1.0
CG G:ASP219 2.8 43.5 1.0
O G:HOH588 3.0 44.3 1.0
O G:HOH571 3.1 60.5 1.0
HB G:THR221 3.5 74.8 1.0
CB G:THR221 3.5 62.3 1.0
OD2 D:ASP220 3.6 48.9 1.0
H G:THR221 3.8 58.9 1.0
OD1 D:ASP220 4.0 44.6 1.0
HB2 D:ASN247 4.2 76.2 1.0
HG21 G:THR221 4.2 77.4 1.0
CG D:ASP220 4.2 45.0 1.0
HA D:ASN247 4.2 62.2 1.0
CB G:ASP219 4.3 43.9 1.0
HB3 D:ASN247 4.3 76.2 1.0
CG2 G:THR221 4.4 64.5 1.0
N G:THR221 4.5 49.0 1.0
HB3 G:ASP219 4.5 52.6 1.0
O D:HOH502 4.6 38.8 1.0
CA G:THR221 4.6 57.0 1.0
CB D:ASN247 4.6 63.5 1.0
HB2 G:ASP219 4.7 52.6 1.0
HG23 G:THR221 4.8 77.4 1.0
HE2 D:LYS244 4.8 68.4 1.0
HA G:THR221 4.9 68.5 1.0
HD21 G:ASN247 4.9 75.1 1.0
CA D:ASN247 4.9 51.9 1.0

Calcium binding site 8 out of 10 in 5m86

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Calcium binding site 8 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca401

b:63.8
occ:1.00
O H:HOH540 2.4 55.5 1.0
OG1 H:THR221 2.4 51.2 1.0
OD2 H:ASP219 2.4 47.6 1.0
OD1 H:ASP219 2.5 52.8 1.0
CG H:ASP219 2.7 49.5 1.0
O H:HOH508 3.2 54.2 1.0
HB H:THR221 3.3 62.5 1.0
CB H:THR221 3.4 52.1 1.0
HG21 H:THR221 3.9 64.6 1.0
OD2 C:ASP220 4.0 55.9 1.0
H H:THR221 4.0 63.2 1.0
CB H:ASP219 4.1 48.7 1.0
HD21 H:ASN196 4.2 82.5 1.0
HB3 H:ASP219 4.2 58.4 1.0
CG2 H:THR221 4.2 53.8 1.0
HB2 C:ASN247 4.4 91.2 1.0
HB3 C:ASN247 4.4 91.2 1.0
OD1 C:ASP220 4.4 55.0 1.0
HA C:ASN247 4.4 81.8 1.0
HD22 H:ASN247 4.5 71.6 1.0
HB2 H:ASP219 4.5 58.4 1.0
CG C:ASP220 4.6 54.5 1.0
CA H:THR221 4.6 52.8 1.0
N H:THR221 4.6 52.7 1.0
HG23 H:THR221 4.7 64.6 1.0
ND2 H:ASN196 4.7 68.7 1.0
HD22 H:ASN196 4.8 82.5 1.0
CB C:ASN247 4.8 76.0 1.0
O C:HOH513 4.9 48.8 1.0
O H:HOH503 4.9 64.3 1.0

Calcium binding site 9 out of 10 in 5m86

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Calcium binding site 9 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ca401

b:75.3
occ:1.00
OG1 I:THR221 2.5 60.4 1.0
OD2 I:ASP219 2.5 54.9 1.0
OD1 I:ASP219 2.7 58.0 1.0
CG I:ASP219 2.9 55.2 1.0
HG1 I:THR221 3.0 72.5 1.0
O I:HOH501 3.2 67.1 1.0
HB I:THR221 3.5 73.0 1.0
CB I:THR221 3.5 60.8 1.0
OD2 B:ASP220 3.7 60.4 1.0
HG21 I:THR221 3.9 75.9 1.0
OD1 B:ASP220 4.1 59.4 1.0
HD21 I:ASN196 4.1 88.2 1.0
H I:THR221 4.2 67.3 1.0
HB2 B:ASN247 4.2 81.5 1.0
CB I:ASP219 4.3 52.8 1.0
CG2 I:THR221 4.3 63.2 1.0
CG B:ASP220 4.3 59.5 1.0
HB3 I:ASP219 4.4 63.4 1.0
HA B:ASN247 4.4 76.3 1.0
HB3 B:ASN247 4.4 81.5 1.0
HD22 I:ASN247 4.5 80.6 1.0
ND2 I:ASN196 4.6 73.5 1.0
HB2 I:ASP219 4.6 63.4 1.0
HD22 I:ASN196 4.6 88.2 1.0
HG23 I:THR221 4.7 75.9 1.0
CB B:ASN247 4.7 67.9 1.0
CA I:THR221 4.8 59.2 1.0
N I:THR221 4.8 56.0 1.0

Calcium binding site 10 out of 10 in 5m86

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Calcium binding site 10 out of 10 in the Crystal Structure of the Thermoplasma Acidophilum Protein TA1207


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of the Thermoplasma Acidophilum Protein TA1207 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Ca401

b:44.7
occ:1.00
O J:HOH533 2.4 43.4 1.0
OD1 J:ASP219 2.4 47.5 1.0
O J:HOH502 2.4 48.3 1.0
OG1 J:THR221 2.4 52.9 1.0
OD2 J:ASP219 2.5 44.9 1.0
OD1 A:ASP220 2.5 45.7 1.0
CG J:ASP219 2.8 46.0 1.0
OD2 A:ASP220 3.0 43.7 1.0
CG A:ASP220 3.1 45.2 1.0
H J:THR221 3.6 52.6 1.0
CB J:THR221 3.6 50.0 1.0
HB J:THR221 3.7 60.0 1.0
O A:HOH518 4.0 61.9 1.0
N J:THR221 4.3 43.9 1.0
CB J:ASP219 4.3 40.0 1.0
HB2 A:ASN247 4.4 55.4 1.0
HB3 J:ASN247 4.4 72.9 1.0
O J:HOH522 4.4 49.6 1.0
CB A:ASP220 4.5 44.0 1.0
CA J:THR221 4.5 49.1 1.0
HG21 J:THR221 4.6 61.7 1.0
OD1 J:ASP220 4.6 50.3 1.0
HB2 A:ASP220 4.6 52.8 1.0
HB3 J:ASP219 4.7 48.0 1.0
CG2 J:THR221 4.7 51.4 1.0
HB2 J:ASP219 4.7 48.0 1.0
HA J:THR221 4.7 59.0 1.0
O A:ASP220 4.7 47.6 1.0
C A:ASP220 4.8 44.5 1.0
H J:ASP220 4.8 57.5 1.0
HA A:THR221 4.9 59.4 1.0
HG23 J:THR221 4.9 61.7 1.0
HA A:ASN247 5.0 55.1 1.0

Reference:

G.R.Pathare, I.Nagy, A.Hubert, D.R.Thomas, A.Bracher. Crystal Structure of the Thermoplasma Acidophilum Protein TA1207. Acta Crystallogr F Struct V. 73 328 2017BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 28580920
DOI: 10.1107/S2053230X17007087
Page generated: Mon Jul 15 07:57:50 2024

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