Calcium in PDB 4hsq: Crystal Structure of Domains D2 and D3 of the Major Pilin Spad From Corynebacterium Diphtheriae

The structure of Crystal Structure of Domains D2 and D3 of the Major Pilin Spad From Corynebacterium Diphtheriae, PDB code: 4hsq 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)	19.86 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.992, 81.335, 92.371, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19

The binding sites of Calcium atom in the Crystal Structure of Domains D2 and D3 of the Major Pilin Spad From Corynebacterium Diphtheriae (pdb code 4hsq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Domains D2 and D3 of the Major Pilin Spad From Corynebacterium Diphtheriae, PDB code: 4hsq:

Calcium binding site 1 out of 1 in the Crystal Structure of Domains D2 and D3 of the 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 Crystal Structure of Domains D2 and D3 of the Major Pilin Spad From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:16.8 occ:1.00 O A:ASP440 2.2 15.2 1.0 O A:THR443 2.2 16.1 1.0 O A:ILE430 2.3 14.0 1.0 O A:GLU432 2.3 16.3 1.0 OD1 A:ASP439 2.4 22.7 1.0 O A:HOH620 2.5 17.6 1.0 C A:THR443 3.4 16.6 1.0 C A:ILE430 3.4 13.9 1.0 C A:ASP440 3.4 16.3 1.0 C A:GLU432 3.5 19.5 1.0 CG A:ASP439 3.6 26.9 1.0 N A:ASP440 4.1 17.0 1.0 N A:GLU432 4.1 14.5 1.0 C A:ASP439 4.2 24.9 1.0 N A:THR443 4.2 12.2 1.0 CA A:ILE430 4.2 11.6 1.0 C A:SER431 4.2 16.9 1.0 OD2 A:ASP439 4.2 30.1 1.0 CA A:GLU441 4.3 13.1 1.0 O A:HOH694 4.3 25.4 1.0 N A:GLU441 4.3 12.7 1.0 N A:LEU444 4.3 13.9 1.0 CA A:GLU432 4.3 15.4 1.0 CA A:THR443 4.3 12.5 1.0 O A:LYS429 4.3 16.6 1.0 CA A:ASP440 4.4 16.1 1.0 N A:SER431 4.4 11.9 1.0 CA A:LYS433 4.4 16.9 1.0 CA A:LEU444 4.4 14.2 1.0 N A:LYS433 4.5 16.3 1.0 C A:GLU441 4.5 17.0 1.0 O A:SER431 4.5 17.5 1.0 CA A:ASP439 4.5 21.1 1.0 O A:ASP439 4.5 26.3 1.0 CB A:ASP439 4.6 22.2 1.0 CA A:SER431 4.7 11.8 1.0 N A:VAL442 4.8 14.4 1.0 CB A:GLU432 4.8 16.5 1.0 CB A:LYS433 4.9 20.3 1.0 CB A:THR443 4.9 16.0 1.0 O A:GLU441 4.9 15.3 1.0 CG2 A:ILE430 4.9 11.7 1.0 O A:HOH663 5.0 23.8 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