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Calcium in PDB 4dz2: Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506

Enzymatic activity of Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506

All present enzymatic activity of Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506:
5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506, PDB code: 4dz2 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) 44.61 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 106.440, 49.050, 66.640, 90.00, 123.05, 90.00
R / Rfree (%) 21.9 / 24.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506 (pdb code 4dz2). 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 Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506, PDB code: 4dz2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4dz2

Go back to Calcium Binding Sites List in 4dz2
Calcium binding site 1 out of 2 in the Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506


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 Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:14.4
occ:1.00
 O A:HOH370 2.3 19.8 1.0
O A:HOH369 2.3 15.0 1.0
OXT A:VAL113 2.4 16.1 1.0
OD2 A:ASP112 2.6 15.7 1.0
OD1 A:ASP112 2.6 16.2 1.0
CG A:ASP112 2.9 15.7 1.0
C A:VAL113 3.5 16.1 1.0
O A:VAL113 4.2 16.6 1.0
N A:VAL113 4.3 15.4 1.0
O A:HOH306 4.4 21.8 1.0
CB A:ASP112 4.4 15.6 1.0
O A:HOH387 4.5 25.3 1.0
CA A:VAL113 4.6 15.3 1.0
O A:HOH330 4.6 25.9 1.0
O A:HOH348 4.8 30.7 1.0
O A:HOH349 4.8 22.9 1.0

Calcium binding site 2 out of 2 in 4dz2

Go back to Calcium Binding Sites List in 4dz2
Calcium binding site 2 out of 2 in the Crystal Structure of A Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506


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 Peptidyl-Prolyl Cis-Trans Isomerase with Surface Mutation R92G From Burkholderia Pseudomallei Complexed with FK506 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca201

b:13.5
occ:1.00
 O B:HOH365 2.2 21.7 1.0
O B:HOH364 2.2 12.8 1.0
O B:VAL113 2.4 17.4 1.0
OD2 B:ASP112 2.6 17.6 1.0
OD1 B:ASP112 2.6 17.9 1.0
CG B:ASP112 2.9 17.5 1.0
C B:VAL113 3.6 17.1 1.0
OXT B:VAL113 4.2 17.1 1.0
O B:HOH329 4.3 27.4 1.0
N B:VAL113 4.3 16.9 1.0
CB B:ASP112 4.4 17.2 1.0
CA B:VAL113 4.6 16.6 1.0
O B:HOH336 4.8 24.2 1.0
C B:ASP112 5.0 16.3 1.0

Reference:

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
Page generated: Sat Dec 12 04:44:27 2020

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