Calcium in PDB 4ggq: Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40

All present enzymatic activity of Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40:
5.2.1.8;

The structure of Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40, PDB code: 4ggq was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.02 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.440, 76.150, 76.350, 95.07, 90.13, 92.65
R / Rfree (%)	18.7 / 22

The binding sites of Calcium atom in the Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40 (pdb code 4ggq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40, PDB code: 4ggq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40


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 A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:24.4 occ:1.00 OD1 C:ASP51 2.2 30.8 1.0 O C:PRO52 2.3 24.1 1.0 O C:HOH337 2.3 25.6 1.0 O C:HOH307 2.5 21.6 1.0 CG C:ASP51 3.0 29.7 1.0 OD2 C:ASP51 3.2 32.4 1.0 C C:PRO52 3.5 23.3 1.0 N C:PRO52 4.2 24.3 1.0 C C:ASP51 4.2 25.0 1.0 O C:HOH325 4.3 30.5 1.0 CA C:PRO52 4.3 23.5 1.0 CB C:ASP51 4.4 28.5 1.0 O C:HOH320 4.4 30.6 1.0 N C:PHE53 4.5 21.4 1.0 O C:ASP51 4.5 23.0 1.0 O C:HOH371 4.6 30.8 1.0 CA C:PHE53 4.6 21.3 1.0 CA C:ASP51 4.6 27.4 1.0 CD C:PRO52 4.6 26.0 1.0 O C:HOH363 4.7 39.3 1.0 CB C:PRO52 4.7 24.5 1.0 O C:HOH374 5.0 28.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40


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 A Smt Fusion Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed with CJ40 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:24.3 occ:1.00 OD1 A:ASP51 2.2 30.3 1.0 O A:PRO52 2.3 27.0 1.0 O A:HOH323 2.4 26.6 1.0 O A:HOH303 2.4 23.6 1.0 CG A:ASP51 3.1 30.8 1.0 OD2 A:ASP51 3.4 31.1 1.0 C A:PRO52 3.5 25.8 1.0 N A:PRO52 4.2 27.3 1.0 C A:ASP51 4.2 27.1 1.0 O A:HOH359 4.3 38.1 1.0 CA A:PRO52 4.4 26.2 1.0 CB A:ASP51 4.4 29.5 1.0 N A:PHE53 4.5 24.2 1.0 O A:HOH320 4.5 36.0 1.0 O A:HOH433 4.5 37.9 1.0 O A:ASP51 4.5 24.3 1.0 CA A:PHE53 4.5 23.2 1.0 CD A:PRO52 4.6 28.8 1.0 CA A:ASP51 4.6 28.9 1.0 O A:HOH429 4.7 41.1 1.0 CB A:PRO52 4.8 28.6 1.0 O A:HOH315 4.8 30.0 1.0 N A:ALA54 5.0 23.6 1.0

D.W.Begley, D.Fox, D.Jenner, C.Juli, P.G.Pierce, J.Abendroth, M.Muruthi, K.Safford, V.Anderson, K.Atkins, S.R.Barnes, S.O.Moen, A.C.Raymond, R.Stacy, P.J.Myler, B.L.Staker, N.J.Harmer, I.H.Norville, U.Holzgrabe, M.Sarkar-Tyson, T.E.Edwards, D.D.Lorimer. A Structural Biology Approach Enables the Development of Antimicrobials Targeting Bacterial Immunophilins. Antimicrob.Agents Chemother. V. 58 1458 2014.
ISSN: ISSN 0066-4804
PubMed: 24366729
DOI: 10.1128/AAC.01875-13