Calcium in PDB 5n8p: S-Layer Protein Rsaa From C. Crescentus

The structure of S-Layer Protein Rsaa From C. Crescentus, PDB code: 5n8p was solved by T.A.M.Bharat, D.Kureisaite-Ciziene, J.Lowe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	215.880, 74.960, 221.660, 90.00, 118.99, 90.00
R / Rfree (%)	25.8 / 27.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 110; Page 12, Binding sites: 111 - 114;

Binding sites:

The binding sites of Calcium atom in the S-Layer Protein Rsaa From C. Crescentus (pdb code 5n8p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 114 binding sites of Calcium where determined in the S-Layer Protein Rsaa From C. Crescentus, PDB code: 5n8p:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9001 b:15.3 occ:1.00 OE2 A:GLU317 2.2 28.9 1.0 O A:GLY315 2.4 21.6 1.0 OD1 A:ASP294 2.6 24.0 1.0 O A:ALA291 2.7 32.4 1.0 O A:GLY290 2.8 20.7 1.0 OE1 A:GLU317 2.9 27.1 1.0 CD A:GLU317 2.9 27.4 1.0 C A:ALA291 3.3 32.9 1.0 CG A:ASP294 3.4 23.3 1.0 C A:GLY315 3.5 22.6 1.0 C A:GLY290 3.6 19.8 1.0 CB A:ASP294 3.7 24.3 1.0 CA A:GLY292 3.8 46.1 1.0 N A:GLY292 3.9 39.8 1.0 N A:GLY290 4.1 15.1 1.0 CA A:ALA291 4.1 29.4 1.0 N A:ALA291 4.1 23.4 1.0 C A:GLY289 4.2 14.4 1.0 CA A:GLY315 4.3 22.0 1.0 CG A:GLU317 4.4 26.6 1.0 CA A:GLY289 4.4 13.1 1.0 OD2 A:ASP294 4.4 21.8 1.0 CA A:GLY290 4.5 17.2 1.0 N A:ILE316 4.5 23.2 1.0 CA A:ILE316 4.6 24.8 1.0 N A:ASP294 4.6 27.2 1.0 N A:THR293 4.7 38.1 1.0 CA A:CA9002 4.7 18.4 1.0 C A:GLY292 4.7 42.7 1.0 O A:GLY289 4.7 14.6 1.0 CA A:ASP294 4.8 23.2 1.0 N A:GLU317 5.0 24.6 1.0

Calcium binding site 2 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9002 b:18.4 occ:1.00 O A:GLY289 2.5 14.6 1.0 O A:ASN266 2.7 35.9 1.0 OD2 A:ASP294 2.7 21.8 1.0 N A:ASN266 2.8 41.3 1.0 OD1 A:ASP294 2.8 24.0 1.0 OD2 A:ASP268 3.0 27.4 1.0 N A:ALA265 3.1 35.1 1.0 OD1 A:ASP268 3.1 29.3 1.0 CG A:ASP294 3.2 23.3 1.0 O A:ALA291 3.2 32.4 1.0 CA A:ALA265 3.2 37.9 1.0 N A:ALA291 3.3 23.4 1.0 CG A:ASP268 3.4 28.4 1.0 C A:GLY289 3.4 14.4 1.0 C A:ALA265 3.5 41.1 1.0 C A:ASN266 3.6 38.6 1.0 C A:GLY290 3.7 19.8 1.0 CA A:ASN266 3.8 39.3 1.0 CA A:GLY290 3.9 17.2 1.0 C A:ALA291 4.0 32.9 1.0 N A:THR264 4.0 28.3 1.0 CA A:ALA291 4.0 29.4 1.0 N A:GLY290 4.1 15.1 1.0 C A:THR264 4.2 36.8 1.0 N A:ASP268 4.5 33.1 1.0 CA A:GLY289 4.5 13.1 1.0 C A:GLY263 4.5 24.9 1.0 O A:GLY290 4.5 20.7 1.0 CB A:ALA291 4.6 30.4 1.0 CA A:GLY263 4.6 21.8 1.0 CA A:THR264 4.6 33.2 1.0 O A:ALA265 4.6 42.3 1.0 CB A:ALA265 4.7 38.7 1.0 OG1 A:THR264 4.7 36.1 1.0 CB A:ASP294 4.7 24.3 1.0 CA A:CA9001 4.7 15.3 1.0 CB A:ASP268 4.7 27.7 1.0 CB A:ASN266 4.8 38.5 1.0 N A:ASN267 4.8 41.7 1.0

Calcium binding site 3 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9003 b:10.7 occ:1.00 OD2 A:ASP259 2.3 10.6 1.0 O A:THR280 2.4 10.4 1.0 OG1 A:THR282 2.4 9.1 1.0 OD1 A:ASP285 2.5 7.2 1.0 O A:THR255 2.5 9.4 1.0 OD2 A:ASP285 2.6 8.0 1.0 O A:GLY257 2.7 9.4 1.0 CG A:ASP285 2.9 7.5 1.0 C A:THR280 3.5 10.3 1.0 CG A:ASP259 3.5 10.5 1.0 C A:GLY257 3.7 9.2 1.0 C A:THR255 3.7 9.8 1.0 CB A:THR282 3.8 9.3 1.0 N A:THR282 3.8 9.2 1.0 N A:GLY257 4.0 9.4 1.0 N A:THR255 4.1 10.8 1.0 CD2 A:LEU254 4.3 13.1 1.0 CA A:THR280 4.3 10.4 1.0 OD1 A:ASP259 4.3 10.9 1.0 C A:THR256 4.3 9.6 1.0 CA A:THR282 4.3 9.1 1.0 CA A:LEU281 4.4 9.7 1.0 CG2 A:THR282 4.4 9.5 1.0 N A:LEU281 4.4 10.1 1.0 CA A:GLY257 4.4 9.2 1.0 N A:ASP259 4.4 8.9 1.0 CB A:ASP285 4.4 7.4 1.0 CB A:LEU254 4.4 12.7 1.0 CB A:ASP259 4.4 10.0 1.0 C A:LEU281 4.5 9.4 1.0 CA A:THR255 4.5 10.1 1.0 CG A:LEU254 4.6 13.2 1.0 N A:THR258 4.6 8.8 1.0 OG1 A:THR255 4.6 10.0 1.0 CA A:THR256 4.6 9.8 1.0 N A:THR256 4.6 9.9 1.0 O A:THR282 4.7 9.2 1.0 CB A:THR280 4.7 10.0 1.0 CA A:THR258 4.7 8.6 1.0 C A:THR282 4.8 8.8 1.0 O A:THR256 4.8 9.2 1.0 C A:LEU254 4.9 11.8 1.0 C A:THR258 4.9 8.6 1.0

Calcium binding site 4 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9004 b:19.1 occ:1.00 O A:LEU532 2.3 25.6 1.0 OD2 A:ASP562 2.4 30.4 1.0 OD1 A:ASP562 2.7 29.8 1.0 CG A:ASP562 2.9 29.0 1.0 C A:LEU532 3.5 26.2 1.0 CA A:THR533 4.1 23.9 1.0 N A:THR533 4.3 25.5 1.0 O A:ALA531 4.3 36.1 1.0 C A:ALA531 4.3 33.6 1.0 O A:THR533 4.4 24.7 1.0 CB A:ASP562 4.4 27.2 1.0 OE2 A:GLU558 4.4 21.0 1.0 C A:THR533 4.5 23.9 1.0 N A:LEU532 4.5 29.9 1.0 CA A:LEU532 4.6 26.8 1.0 O A:GLY530 4.8 40.4 1.0 CA A:ALA531 4.8 33.1 1.0 O A:ALA534 4.9 29.6 1.0

Calcium binding site 5 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9005 b:14.3 occ:1.00 O A:ASP562 2.5 26.2 1.0 OD2 A:ASP586 2.5 15.0 1.0 O A:ALA559 2.7 17.8 1.0 OD1 A:ASP586 2.8 15.4 1.0 CG A:ASP586 3.1 14.9 1.0 C A:ASP562 3.7 23.9 1.0 C A:ALA559 3.9 19.8 1.0 O A:ALA560 4.2 20.2 1.0 N A:ASP562 4.3 23.0 1.0 CA A:ALA559 4.5 19.8 1.0 CA A:ASP562 4.6 24.7 1.0 N A:ASP563 4.6 24.5 1.0 CA A:ASP563 4.6 27.3 1.0 CB A:ASP586 4.6 14.2 1.0 OD1 A:ASP563 4.7 36.7 1.0 C A:ALA560 4.7 20.9 1.0 N A:GLY564 4.9 24.8 1.0 C A:ALA561 4.9 22.9 1.0 N A:ALA560 5.0 19.5 1.0

Calcium binding site 6 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9006 b:20.1 occ:1.00 OD2 A:ASP638 2.2 11.1 1.0 O A:GLY634 2.2 22.6 1.0 OD1 A:ASP656 2.5 12.6 1.0 O A:ALA653 2.5 16.0 1.0 O A:MET651 2.5 22.7 1.0 O A:GLY636 2.7 14.3 1.0 OD2 A:ASP656 2.8 12.5 1.0 CG A:ASP656 3.0 12.4 1.0 CG A:ASP638 3.3 11.0 1.0 C A:GLY634 3.4 21.1 1.0 C A:ALA653 3.7 16.2 1.0 O A:ALA635 3.7 21.2 1.0 C A:MET651 3.7 23.1 1.0 N A:GLY634 3.8 20.8 1.0 C A:ALA635 3.8 19.5 1.0 C A:GLY636 3.9 15.2 1.0 C A:GLY652 3.9 20.8 1.0 N A:ALA653 4.0 18.7 1.0 CB A:ASP638 4.1 11.2 1.0 N A:ASP638 4.1 12.3 1.0 OD1 A:ASP638 4.1 10.4 1.0 O A:GLY652 4.1 20.5 1.0 N A:GLY636 4.2 18.4 1.0 CA A:GLY652 4.2 22.1 1.0 CA A:GLY634 4.2 21.0 1.0 N A:ALA635 4.3 20.1 1.0 CA A:ALA635 4.3 19.5 1.0 C A:GLY633 4.4 20.1 1.0 N A:GLY652 4.4 23.0 1.0 CA A:GLY633 4.5 17.1 1.0 CA A:ALA653 4.5 16.7 1.0 CB A:ASP656 4.5 12.0 1.0 CA A:GLY636 4.5 16.9 1.0 O A:GLY654 4.6 15.3 1.0 CA A:CA9007 4.6 17.5 1.0 N A:GLY654 4.7 16.4 1.0 CA A:ASP638 4.7 11.5 1.0 CA A:MET651 4.8 22.1 1.0 CA A:GLY654 4.8 15.3 1.0 N A:ALA637 4.9 14.7 1.0 C A:GLY654 4.9 14.5 1.0

Calcium binding site 7 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9007 b:17.5 occ:1.00 OD1 A:ASP678 2.3 12.5 1.0 OD2 A:ASP656 2.3 12.5 1.0 O A:ASP675 2.4 15.3 1.0 O A:GLY673 2.5 14.3 1.0 O A:GLY652 2.5 20.5 1.0 O A:GLY654 2.6 15.3 1.0 CG A:ASP678 3.1 12.9 1.0 OD2 A:ASP678 3.3 12.5 1.0 O A:ALA653 3.3 16.0 1.0 CG A:ASP656 3.4 12.4 1.0 C A:ALA653 3.5 16.2 1.0 C A:GLY652 3.6 20.8 1.0 C A:ASP675 3.6 15.7 1.0 C A:GLY673 3.7 14.4 1.0 C A:GLY654 3.7 14.5 1.0 C A:GLY674 3.9 14.9 1.0 CA A:ALA653 3.9 16.7 1.0 N A:GLY654 3.9 16.4 1.0 CB A:ASP656 3.9 12.0 1.0 O A:GLY674 4.1 14.7 1.0 N A:ASP675 4.1 15.2 1.0 N A:ALA653 4.2 18.7 1.0 N A:ASP656 4.3 12.5 1.0 CA A:GLY674 4.3 14.6 1.0 O A:MET651 4.3 22.7 1.0 CA A:GLY654 4.4 15.3 1.0 CA A:ASP675 4.4 15.8 1.0 N A:GLY674 4.5 14.3 1.0 CB A:ASP678 4.5 12.8 1.0 OD1 A:ASP656 4.5 12.6 1.0 C A:MET651 4.6 23.1 1.0 CA A:CA9006 4.6 20.1 1.0 N A:GLY676 4.6 15.0 1.0 CB A:MET651 4.6 21.6 1.0 N A:GLY652 4.8 23.0 1.0 CA A:GLY676 4.8 14.4 1.0 CA A:GLY673 4.8 14.5 1.0 CA A:GLY652 4.8 22.1 1.0 CA A:ASP656 4.8 11.6 1.0 N A:ASP655 4.8 13.7 1.0 O A:GLY676 4.9 14.2 1.0 C A:GLY676 4.9 13.6 1.0

Calcium binding site 8 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9008 b:11.8 occ:1.00 OE2 A:GLU699 2.3 14.4 1.0 O A:GLY697 2.4 17.8 1.0 O A:GLY676 2.5 14.2 1.0 O A:GLY674 2.5 14.7 1.0 OD2 A:ASP678 2.6 12.5 1.0 OE1 A:GLU699 2.7 13.4 1.0 CD A:GLU699 2.9 13.9 1.0 C A:GLY697 3.4 17.6 1.0 C A:GLY676 3.6 13.6 1.0 C A:GLY674 3.7 14.9 1.0 N A:GLY676 3.8 15.0 1.0 C A:ASP675 3.8 15.7 1.0 CG A:ASP678 3.8 12.9 1.0 CA A:GLY697 4.0 17.9 1.0 CA A:ASP675 4.1 15.8 1.0 O A:ASP675 4.2 15.3 1.0 CA A:GLY676 4.3 14.4 1.0 CG A:GLU699 4.3 13.6 1.0 N A:ASP675 4.4 15.2 1.0 N A:PHE698 4.5 17.2 1.0 N A:ASP678 4.6 12.9 1.0 CB A:ASP678 4.6 12.8 1.0 O A:GLY673 4.6 14.3 1.0 N A:THR677 4.7 13.0 1.0 C A:GLY673 4.7 14.4 1.0 OD1 A:ASP678 4.7 12.5 1.0 N A:GLY674 4.8 14.3 1.0 CA A:PHE698 4.9 16.5 1.0 CA A:GLY674 4.9 14.6 1.0 CA A:THR677 4.9 12.9 1.0

Calcium binding site 9 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9009 b:11.9 occ:1.00 O A:GLY783 2.4 11.8 1.0 O A:ALA757 2.4 23.4 1.0 OE1 A:GLU785 2.5 24.5 1.0 OD2 A:ASP762 2.6 20.2 1.0 O A:GLY759 2.7 24.7 1.0 OE2 A:GLU785 3.0 22.9 1.0 CD A:GLU785 3.1 23.1 1.0 C A:GLY783 3.3 12.1 1.0 C A:ALA757 3.6 26.0 1.0 CG A:ASP762 3.7 19.4 1.0 CA A:GLY783 3.8 11.7 1.0 C A:GLY759 3.9 23.9 1.0 C A:THR758 4.2 23.9 1.0 CB A:ASP762 4.3 19.5 1.0 O A:THR758 4.3 23.8 1.0 N A:VAL784 4.5 13.0 1.0 N A:GLY759 4.5 24.2 1.0 CA A:ALA757 4.5 27.3 1.0 N A:THR758 4.5 25.1 1.0 CA A:THR758 4.6 23.6 1.0 CG A:GLU785 4.6 21.3 1.0 CB A:ALA757 4.6 29.4 1.0 OD1 A:ASP762 4.7 18.8 1.0 CA A:THR760 4.7 22.8 1.0 N A:THR760 4.7 24.2 1.0 CA A:GLY759 4.7 23.2 1.0 CA A:VAL784 4.9 13.4 1.0

Calcium binding site 10 out of 114 in the S-Layer Protein Rsaa From C. Crescentus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of S-Layer Protein Rsaa From C. Crescentus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9010 b:30.6 occ:1.00 O A:SER771 2.3 12.1 1.0 O A:THR797 2.4 29.5 1.0 OD1 A:ASN795 2.7 24.6 1.0 OD1 A:ASP793 2.7 15.9 1.0 CD2 A:HIS799 2.7 24.6 1.0 OD2 A:ASP793 2.8 15.7 1.0 CG A:ASP793 3.1 16.1 1.0 CG A:ASN795 3.5 24.6 1.0 C A:SER771 3.5 12.3 1.0 C A:THR797 3.6 26.9 1.0 NE2 A:HIS799 3.6 24.0 1.0 CG A:HIS799 3.7 24.8 1.0 ND2 A:ASN795 3.7 23.3 1.0 CB A:HIS799 4.1 24.9 1.0 OG1 A:THR797 4.3 22.9 1.0 C A:ALA798 4.3 26.3 1.0 N A:HIS799 4.4 25.6 1.0 N A:ALA772 4.4 12.2 1.0 O A:ASN795 4.4 26.3 1.0 CA A:ALA772 4.4 12.2 1.0 CA A:THR797 4.5 25.4 1.0 CA A:SER771 4.5 12.5 1.0 O A:ALA798 4.5 25.1 1.0 N A:ALA798 4.5 26.4 1.0 CB A:ASP793 4.5 16.7 1.0 N A:THR797 4.6 26.8 1.0 CA A:ALA798 4.7 25.9 1.0 CE1 A:HIS799 4.7 24.6 1.0 ND1 A:HIS799 4.7 24.3 1.0 O A:HOH9106 4.8 5.6 1.0 CB A:ASN795 4.8 25.6 1.0 CB A:THR797 4.8 24.1 1.0 C A:ASN795 4.9 28.3 1.0 CA A:HIS799 4.9 24.4 1.0 N A:ASN795 5.0 26.4 1.0

T.A.M.Bharat, D.Kureisaite-Ciziene, G.G.Hardy, E.W.Yu, J.M.Devant, W.J.H.Hagen, Y.V.Brun, J.A.G.Briggs, J.Lowe. Structure of the Hexagonal Surface Layer on Caulobacter Crescentus Cells. Nat Microbiol V. 2 17059 2017.
ISSN: ESSN 2058-5276
PubMed: 28418382
DOI: 10.1038/NMICROBIOL.2017.59