Calcium in PDB 4hss: Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae

The structure of Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae, PDB code: 4hss was solved by N.G.Paterson, H.J.Kang, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.36 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.828, 56.791, 435.839, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 25

The binding sites of Calcium atom in the Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae (pdb code 4hss). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae, PDB code: 4hss:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:71.6 occ:1.00 O A:GLU432 2.3 52.4 1.0 O A:THR443 2.4 37.5 1.0 O A:ASP440 2.6 43.8 1.0 O A:ILE430 2.7 32.5 1.0 C A:GLU432 3.5 52.2 1.0 C A:ILE430 3.5 32.8 1.0 C A:THR443 3.5 37.4 1.0 C A:ASP440 3.7 44.4 1.0 N A:GLU432 3.9 41.2 1.0 O A:LYS429 4.1 41.3 1.0 CA A:GLU432 4.2 44.6 1.0 CA A:ILE430 4.2 29.4 1.0 C A:SER431 4.2 40.6 1.0 N A:ASP440 4.3 39.0 1.0 CA A:LEU444 4.3 32.3 1.0 N A:LEU444 4.3 33.1 1.0 N A:SER431 4.4 33.3 1.0 N A:LYS433 4.5 50.8 1.0 N A:THR443 4.6 32.1 1.0 CB A:GLU432 4.6 46.8 1.0 CA A:ASP440 4.6 38.3 1.0 CA A:THR443 4.6 31.8 1.0 N A:GLU441 4.6 40.9 1.0 CA A:SER431 4.7 34.6 1.0 CA A:LYS433 4.7 50.9 1.0 O A:SER431 4.7 40.2 1.0 CA A:GLU441 4.8 41.6 1.0 C A:GLU441 4.9 45.0 1.0

Calcium binding site 2 out of 2 in the Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Full-Length Major Pilin Spad From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:87.6 occ:1.00 O B:ILE430 2.5 61.3 1.0 O B:THR443 2.7 53.9 1.0 O B:ASP440 3.1 74.5 1.0 O B:HOH674 3.1 40.3 1.0 O B:GLU432 3.3 81.2 1.0 C B:ILE430 3.4 61.4 1.0 O B:LYS429 3.4 50.8 1.0 C B:THR443 3.7 53.1 1.0 OD1 B:ASP439 3.8 0.3 1.0 CA B:ILE430 3.8 50.4 1.0 CA B:LEU444 3.9 45.5 1.0 CG B:ASP439 4.0 100.0 1.0 CB B:ASP439 4.1 87.8 1.0 N B:GLU432 4.1 71.0 1.0 C B:GLU432 4.1 81.0 1.0 N B:LEU444 4.2 46.9 1.0 C B:ASP440 4.3 76.0 1.0 C B:LYS429 4.4 50.5 1.0 N B:SER431 4.4 62.9 1.0 CA B:GLU432 4.5 72.0 1.0 CB B:GLU432 4.6 73.1 1.0 N B:ILE430 4.6 49.1 1.0 CB B:LEU444 4.6 45.8 1.0 C B:SER431 4.6 71.9 1.0 OD2 B:ASP439 4.7 0.7 1.0 N B:ASP440 4.8 78.5 1.0 N B:VAL445 4.8 42.0 1.0 C B:LEU444 4.9 47.9 1.0 CA B:SER431 5.0 65.0 1.0 CG B:LEU444 5.0 50.7 1.0

H.J.Kang, N.G.Paterson, C.U.Kim, M.Middleditch, C.Chang, H.Ton-That, E.N.Baker. A Slow-Forming Isopeptide Bond in the Structure of the Major Pilin Spad From Corynebacterium Diphtheriae Has Implications For Pilus Assembly. Acta Crystallogr.,Sect.D V. 70 1190 2014.
ISSN: ISSN 0907-4449
PubMed: 24816089
DOI: 10.1107/S1399004714001400