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Calcium in PDB 8ckr: Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca

Protein crystallography data

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca, PDB code: 8ckr was solved by M.Liutkus, A.L.Rojas, A.L.Cortajarena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.16 / 1.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.317, 68.317, 72.335, 90, 90, 120
R / Rfree (%) 18.7 / 19.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca (pdb code 8ckr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca, PDB code: 8ckr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 8ckr

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Calcium binding site 1 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca


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 An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:22.4
occ:1.00
OD2 A:ASP52 2.3 22.5 1.0
CG A:ASP52 3.5 21.5 1.0
CA A:CA302 4.0 21.4 1.0
CB A:ASP52 4.0 20.0 1.0
O A:HOH437 4.3 32.2 1.0
OD1 A:ASP52 4.5 22.3 1.0
O A:HOH487 4.8 40.5 1.0

Calcium binding site 2 out of 6 in 8ckr

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Calcium binding site 2 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca


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 An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:21.4
occ:1.00
OD2 A:ASP52 2.5 22.5 1.0
OD1 A:ASP52 2.6 22.3 1.0
CG A:ASP52 2.9 21.5 1.0
CA A:CA303 3.9 19.1 0.8
CA A:CA301 4.0 22.4 1.0
OE1 A:GLN82 4.4 21.7 1.0
CB A:ASP52 4.4 20.0 1.0
O A:HOH449 4.4 26.1 1.0
O A:HOH487 4.7 40.5 1.0
O A:HOH439 5.0 31.6 1.0

Calcium binding site 3 out of 6 in 8ckr

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Calcium binding site 3 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca


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 An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:19.1
occ:0.80
OE1 A:GLN82 2.3 21.7 1.0
O A:HOH435 2.4 23.7 1.0
CD A:GLN82 3.4 19.9 1.0
CG A:GLN82 3.9 19.4 1.0
CA A:CA302 3.9 21.4 1.0
CB A:GLN82 4.0 18.6 1.0
O A:HOH439 4.3 31.6 1.0
NE2 A:GLN82 4.5 20.0 1.0
OD1 A:ASP52 4.5 22.3 1.0
OD2 A:ASP84 4.6 25.1 1.0
O A:GLN82 4.8 22.8 1.0
O A:HOH470 4.9 28.2 1.0
CA A:GLN82 4.9 19.9 1.0
O A:HOH449 5.0 26.1 1.0

Calcium binding site 4 out of 6 in 8ckr

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Calcium binding site 4 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca


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 An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:22.3
occ:0.50
O A:HOH432 1.7 32.0 1.0
O A:HOH424 2.0 33.1 1.0
O A:HOH427 2.4 39.4 1.0
O A:ARG67 2.5 29.5 1.0
O A:HOH428 2.5 28.5 0.5
C A:ARG67 3.2 25.2 1.0
N A:SER68 3.8 27.9 1.0
CA A:SER68 3.9 28.6 1.0
CB A:ARG67 4.0 23.2 1.0
O A:HOH488 4.1 52.0 1.0
OD2 A:ASP65 4.2 26.3 1.0
CA A:ARG67 4.2 22.6 1.0
OD1 A:ASP65 4.2 28.0 1.0
N A:ALA69 4.5 26.3 1.0
CG A:ASP65 4.6 25.2 1.0
OE2 A:GLU70 4.6 38.0 1.0
C A:SER68 4.8 28.3 1.0

Calcium binding site 5 out of 6 in 8ckr

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Calcium binding site 5 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca


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 An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:31.8
occ:0.50
O A:HOH455 2.2 33.4 1.0
O A:HOH458 2.4 38.5 1.0
OE2 A:GLU87 2.4 41.5 1.0
OD2 A:ASP86 2.5 44.0 1.0
OD1 A:ASP86 2.6 38.0 1.0
OE1 A:GLU87 2.6 29.4 1.0
O A:HOH402 2.8 27.2 1.0
CG A:ASP86 2.9 36.4 1.0
CD A:GLU87 2.9 28.5 1.0
CB A:ASP86 4.4 32.0 1.0
CG A:GLU87 4.4 27.7 1.0
OD1 A:ASP84 4.6 26.4 1.0
N A:GLU87 4.8 24.7 1.0
N A:ASP86 4.9 24.9 1.0

Calcium binding site 6 out of 6 in 8ckr

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Calcium binding site 6 out of 6 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca


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 An 8-Repeat Consensus Tpr Superhelix with in Hepes with Ca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca306

b:25.1
occ:0.50
O A:HOH412 2.3 43.6 1.0
O A:HOH489 2.4 50.5 1.0
O A:HOH437 2.5 32.2 1.0
OD2 A:ASP50 4.0 31.0 1.0
O A:HOH463 4.6 47.5 1.0
CG A:ASP50 4.7 22.8 1.0
OD1 A:ASP50 4.7 26.5 1.0
CG A:GLU53 4.8 36.0 1.0
O A:HOH484 4.9 25.4 1.0

Reference:

M.Liutkus, I.R.Sasselli, A.L.Rojas, A.L.Cortajarena. Diverse Crystalline Protein Scaffolds Through Metal-Dependent Polymorphism To Be Published.
Page generated: Thu Jul 10 03:42:38 2025

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