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Calcium in PDB 9etn: Crystal Structure of Murine CRTAC1

Protein crystallography data

The structure of Crystal Structure of Murine CRTAC1, PDB code: 9etn was solved by J.W.Beugelink, H.Hof, B.J.C.Janssen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 81.71 / 1.58
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 167.514, 84.204, 59.718, 90, 102.7, 90
R / Rfree (%) 15 / 19.5

Other elements in 9etn:

The structure of Crystal Structure of Murine CRTAC1 also contains other interesting chemical elements:

Sodium (Na) 1 atom
Potassium (K) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Murine CRTAC1 (pdb code 9etn). 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 Murine CRTAC1, PDB code: 9etn:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 9etn

Go back to Calcium Binding Sites List in 9etn
Calcium binding site 1 out of 6 in the Crystal Structure of Murine CRTAC1


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 Murine CRTAC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca701

b:36.1
occ:1.00
O A:ASP69 2.3 24.9 1.0
OD1 A:ASP63 2.3 26.6 1.0
OD1 A:ASP67 2.4 36.4 1.0
OD1 A:ASP65 2.4 28.9 1.0
OE2 A:GLU71 2.5 23.7 1.0
OE1 A:GLU71 2.6 25.2 1.0
CD A:GLU71 2.9 24.2 1.0
C A:ASP69 3.2 26.2 1.0
CG A:ASP63 3.3 25.1 1.0
CG A:ASP67 3.3 36.9 1.0
CG A:ASP65 3.5 30.3 1.0
N A:ASP69 3.8 31.1 1.0
CA A:ASP69 3.9 29.9 1.0
OD2 A:ASP67 3.9 34.8 1.0
N A:ASP67 3.9 38.1 1.0
NZ A:LYS85 4.0 27.6 1.0
N A:ASP65 4.0 28.8 1.0
CB A:ASP69 4.0 33.4 1.0
CA A:ASP63 4.0 21.3 1.0
OD2 A:ASP63 4.0 31.2 1.0
N A:VAL64 4.1 23.3 1.0
CB A:ASP63 4.1 23.0 1.0
OD2 A:ASP65 4.1 32.1 1.0
N A:PHE70 4.2 22.8 1.0
C A:ASP63 4.3 22.9 1.0
CB A:ASP67 4.3 35.3 1.0
N A:GLY68 4.4 38.0 1.0
N A:HIS66 4.4 34.8 1.0
CG A:GLU71 4.4 22.3 1.0
CA A:ASP67 4.5 37.5 1.0
C A:ASP65 4.5 33.8 1.0
CA A:PHE70 4.5 22.4 1.0
C A:ASP67 4.6 36.3 1.0
CA A:ASP65 4.6 30.4 1.0
C A:GLY68 4.6 35.2 1.0
CB A:ASP65 4.6 29.9 1.0
C A:PHE70 4.7 22.0 1.0
N A:GLU71 4.7 20.3 1.0

Calcium binding site 2 out of 6 in 9etn

Go back to Calcium Binding Sites List in 9etn
Calcium binding site 2 out of 6 in the Crystal Structure of Murine CRTAC1


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 Murine CRTAC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca702

b:21.4
occ:1.00
OD1 A:ASP126 2.3 22.6 1.0
O A:ARG128 2.3 17.8 1.0
OD1 A:ASP124 2.3 22.7 1.0
OE2 A:GLU130 2.4 23.4 1.0
OD1 A:ASP122 2.5 17.7 1.0
OE1 A:GLU130 2.5 16.8 1.0
CD A:GLU130 2.8 19.3 1.0
CG A:ASP126 3.2 24.1 1.0
C A:ARG128 3.4 19.7 1.0
CG A:ASP124 3.4 22.9 1.0
CG A:ASP122 3.5 18.6 1.0
OD2 A:ASP126 3.7 25.5 1.0
NZ A:LYS152 4.0 25.5 1.0
OD2 A:ASP124 4.0 26.0 1.0
N A:ARG128 4.0 22.0 1.0
CA A:ASP122 4.1 17.4 1.0
CA A:ARG128 4.1 21.7 1.0
N A:ASP124 4.2 19.6 1.0
CB A:ASP122 4.2 18.6 1.0
N A:ILE123 4.2 18.8 1.0
N A:ASP126 4.2 21.7 1.0
CB A:ARG128 4.3 26.9 1.0
CG A:GLU130 4.3 18.2 1.0
OD2 A:ASP122 4.3 18.9 1.0
CB A:ASP126 4.4 22.9 1.0
N A:GLU129 4.4 17.8 1.0
C A:ASP122 4.5 17.8 1.0
N A:GLU130 4.5 15.9 1.0
N A:GLY125 4.6 20.5 1.0
CA A:GLU129 4.6 17.1 1.0
O A:HOH977 4.6 22.2 1.0
C A:GLU129 4.6 17.6 1.0
CB A:ASP124 4.6 21.5 1.0
CA A:ASP126 4.7 22.4 1.0
N A:GLY127 4.8 22.4 1.0
CA A:ASP124 4.8 20.7 1.0
C A:ASP124 5.0 20.3 1.0
C A:ASP126 5.0 22.5 1.0

Calcium binding site 3 out of 6 in 9etn

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Calcium binding site 3 out of 6 in the Crystal Structure of Murine CRTAC1


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 Murine CRTAC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca703

b:22.6
occ:1.00
OD1 A:ASN302 2.3 23.4 1.0
O A:LYS306 2.3 23.7 1.0
OD1 A:ASP300 2.4 22.1 1.0
O A:HOH821 2.4 21.4 1.0
OD1 A:ASP308 2.5 19.3 1.0
OD1 A:ASP304 2.5 25.7 1.0
OD2 A:ASP308 2.5 19.5 1.0
CG A:ASP308 2.8 18.4 1.0
CG A:ASN302 3.4 23.4 1.0
CG A:ASP304 3.4 26.2 1.0
C A:LYS306 3.4 24.1 1.0
CG A:ASP300 3.5 23.4 1.0
OD2 A:ASP304 3.8 26.4 1.0
ND2 A:ASN302 3.9 24.1 1.0
N A:LYS306 4.0 25.2 1.0
CA A:LYS306 4.1 25.8 1.0
CB A:LYS306 4.2 28.7 1.0
CA A:ASP300 4.2 21.0 1.0
CB A:ASP300 4.3 22.9 1.0
CB A:ASP308 4.3 17.6 1.0
OD2 A:ASP300 4.3 24.3 1.0
N A:ASN302 4.4 22.4 1.0
N A:ASP304 4.4 27.1 1.0
N A:PHE301 4.4 19.8 1.0
N A:VAL307 4.5 22.4 1.0
C A:ASP300 4.5 20.3 1.0
N A:ASP308 4.5 17.5 1.0
N A:ARG303 4.6 23.5 1.0
CB A:ASP304 4.6 27.2 1.0
CB A:ASN302 4.7 22.7 1.0
C A:VAL307 4.7 19.2 1.0
O A:GLN323 4.7 31.6 1.0
N A:GLN323 4.8 25.5 1.0
CA A:VAL307 4.8 19.5 1.0
CD2 A:LEU322 4.9 23.1 1.0
CA A:ASN302 4.9 22.3 1.0
CA A:ASP308 4.9 17.5 1.0
CA A:ASP304 4.9 27.4 1.0
C A:ASN302 5.0 24.1 1.0
N A:GLY305 5.0 26.4 1.0

Calcium binding site 4 out of 6 in 9etn

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Calcium binding site 4 out of 6 in the Crystal Structure of Murine CRTAC1


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 Murine CRTAC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca704

b:20.1
occ:1.00
OD1 A:ASP357 2.2 24.8 1.0
OD1 A:ASP355 2.2 20.6 1.0
O A:GLU359 2.3 21.8 1.0
OD1 A:ASP353 2.3 19.8 1.0
OE1 A:GLU361 2.3 20.0 1.0
OE2 A:GLU361 2.4 19.7 1.0
CD A:GLU361 2.7 19.5 1.0
CG A:ASP357 3.2 25.9 1.0
CG A:ASP353 3.3 19.2 1.0
CG A:ASP355 3.4 22.2 1.0
C A:GLU359 3.4 21.0 1.0
OD2 A:ASP357 3.9 27.5 1.0
N A:GLU359 3.9 22.5 1.0
OD2 A:ASP355 3.9 22.0 1.0
N A:ASP357 3.9 22.2 1.0
OD2 A:ASP353 4.0 19.0 1.0
CA A:ASP353 4.0 18.3 1.0
CA A:GLU359 4.1 21.1 1.0
CB A:ASP357 4.1 25.2 1.0
N A:ASP355 4.2 20.8 1.0
CG A:GLU361 4.2 19.3 1.0
CB A:ASP353 4.2 18.9 1.0
N A:PHE354 4.3 19.1 1.0
CB A:GLU359 4.3 22.0 1.0
C A:ASP353 4.3 19.3 1.0
NE A:ARG379 4.4 22.9 1.0
CA A:ASP357 4.5 24.0 1.0
N A:LEU360 4.5 20.5 1.0
N A:ASN356 4.5 20.6 1.0
N A:GLU361 4.6 18.2 1.0
N A:GLN358 4.6 24.2 1.0
CB A:ASP355 4.6 21.8 1.0
C A:LEU360 4.6 19.7 1.0
CA A:LEU360 4.7 20.2 1.0
CA A:ASP355 4.7 21.5 1.0
C A:ASP355 4.7 21.2 1.0
C A:ASP357 4.7 24.8 1.0
C A:GLN358 5.0 23.9 1.0

Calcium binding site 5 out of 6 in 9etn

Go back to Calcium Binding Sites List in 9etn
Calcium binding site 5 out of 6 in the Crystal Structure of Murine CRTAC1


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 Murine CRTAC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca705

b:23.2
occ:1.00
O A:MET418 2.3 19.0 1.0
OD1 A:ASP414 2.3 24.0 1.0
OD1 A:ASP416 2.4 22.2 1.0
OD1 A:ASP412 2.4 19.6 1.0
OD2 A:ASP420 2.4 20.9 1.0
O A:HOH874 2.6 28.7 1.0
OD1 A:ASP420 2.6 22.9 1.0
CG A:ASP420 2.8 21.6 1.0
CG A:ASP416 3.4 25.5 1.0
CG A:ASP414 3.4 23.8 1.0
CG A:ASP412 3.5 19.9 1.0
C A:MET418 3.5 19.6 1.0
OD2 A:ASP414 3.8 25.5 1.0
OD2 A:ASP416 3.9 27.9 1.0
CA A:ASP412 4.1 20.2 1.0
O A:HOH965 4.1 21.7 1.0
N A:MET418 4.1 19.9 1.0
CA A:MET418 4.2 21.4 1.0
CB A:MET418 4.2 23.2 1.0
CB A:ASP412 4.3 18.9 1.0
CB A:ASP420 4.3 20.7 1.0
N A:ASP416 4.3 25.4 1.0
OD2 A:ASP412 4.4 22.0 1.0
N A:ASP414 4.4 22.3 1.0
N A:ASP420 4.5 20.1 1.0
C A:ASP412 4.5 21.6 1.0
C A:LEU419 4.5 19.4 1.0
CB A:ASP416 4.5 24.4 1.0
N A:PHE413 4.5 22.0 1.0
N A:LEU419 4.6 19.2 1.0
N A:GLY415 4.6 23.2 1.0
CB A:ASP414 4.6 24.3 1.0
CA A:LEU419 4.8 18.5 1.0
CA A:ASP414 4.9 23.8 1.0
CA A:ASP416 4.9 24.0 1.0
O A:LEU419 4.9 21.4 1.0
CA A:ASP420 4.9 20.4 1.0
N A:GLY417 4.9 18.4 1.0
C A:ASP414 4.9 22.7 1.0

Calcium binding site 6 out of 6 in 9etn

Go back to Calcium Binding Sites List in 9etn
Calcium binding site 6 out of 6 in the Crystal Structure of Murine CRTAC1


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 Murine CRTAC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca706

b:28.4
occ:1.00
O A:HOH831 2.3 23.1 1.0
OD1 A:ASN580 2.3 23.7 1.0
O A:SER584 2.4 27.4 1.0
O A:THR561 2.4 30.3 1.0
OD1 A:ASP560 2.5 31.0 1.0
O A:THR581 2.5 27.5 1.0
OE2 A:GLU563 2.5 30.4 1.0
OD2 A:ASP560 3.1 31.4 1.0
CG A:ASP560 3.1 30.9 1.0
CG A:ASN580 3.4 27.0 1.0
C A:SER584 3.4 30.2 1.0
CD A:GLU563 3.5 30.1 1.0
N A:SER584 3.5 29.6 1.0
C A:THR561 3.6 31.1 1.0
C A:THR581 3.7 29.9 1.0
OE1 A:GLU563 3.7 33.0 1.0
ND2 A:ASN580 3.8 30.6 1.0
CA A:SER584 3.9 30.6 1.0
N A:THR581 4.0 29.0 1.0
N A:GLY583 4.0 29.1 1.0
C A:GLY583 4.3 29.3 1.0
CA A:ASN562 4.3 32.5 1.0
N A:GLU563 4.4 31.5 1.0
N A:ASN562 4.4 30.3 1.0
CA A:THR581 4.5 29.3 1.0
N A:THR561 4.5 32.8 1.0
O A:GLY549 4.5 33.3 1.0
N A:TYR585 4.6 30.4 1.0
CA A:THR561 4.6 31.9 1.0
CB A:ASP560 4.6 29.8 1.0
CA A:GLY583 4.6 29.7 1.0
CB A:ASN580 4.7 27.2 1.0
N A:TYR582 4.7 31.4 1.0
C A:TYR582 4.7 30.1 1.0
C A:ASN580 4.8 28.7 1.0
CA A:ASN580 4.8 28.0 1.0
OG1 A:THR581 4.8 27.1 1.0
CA A:TYR582 4.8 29.9 1.0
CG A:GLU563 4.9 30.3 1.0
C A:ASN562 4.9 33.0 1.0

Reference:

J.Wouter Beugelink, H.Hof, B.J.C.Janssen. CRTAC1 Has A Compact Beta-Propeller-Ttr Core Stabilized By Potassium Ions. J.Mol.Biol. 68712 2024.
ISSN: ESSN 1089-8638
PubMed: 39029889
DOI: 10.1016/J.JMB.2024.168712
Page generated: Thu Jul 10 09:34:06 2025

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