Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation D44G from Burkholderia pseudomallei complexed with CJ183. Determined by X-ray diffraction at 2.45 Å resolution. Released 5 Sept 2012.
Explore 4GIV in 3D Show helices and sheets RCSB PDB PDBe
4GIV contains 12 α-helices and 30 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | -75--69 | 7 | 1 |
| β-strand | -64--58 | 7 | 1 |
| α-helix | -52--43 | 10 | |
| α-helix | -38--36 | 3 | |
| β-strand | -34--31 | 4 | 1 |
| β-strand | -28--27 | 2 | 1 |
| β-strand | -11--6 | 6 | 1 |
| β-strand | 4-5 | 2 | 2 |
| β-strand | 11-16 | 6 | 2 |
| α-helix | 21 | 1 | |
| β-strand | 22 | 1 | 3 |
| α-helix | 23 | 1 | |
| β-strand | 28-37 | 10 | 2 |
| β-strand | 42-45 | 4 | 2 |
| α-helix | 47-49 | 3 | |
| β-strand | 53-56 | 4 | 2 |
| α-helix | 64-70 | 7 | |
| β-strand | 74 | 1 | 3 |
| β-strand | 78-83 | 6 | 2 |
| α-helix | 85-87 | 3 | |
| β-strand | 94 | 1 | 4 |
| β-strand | 98 | 1 | 4 |
| β-strand | 104-112 | 9 | 2 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | -75--69 | 7 | 5 |
| β-strand | -64--58 | 7 | 5 |
| α-helix | -52--42 | 11 | |
| α-helix | -38--36 | 3 | |
| β-strand | -35--31 | 5 | 5 |
| β-strand | -28--27 | 2 | 5 |
| α-helix | -15--14 | 2 | |
| β-strand | -9--5 | 5 | 5 |
| β-strand | 3-5 | 3 | 6 |
| β-strand | 11-16 | 6 | 6 |
| β-strand | 28-37 | 10 | 6 |
| β-strand | 42-45 | 4 | 6 |
| β-strand | 53-56 | 4 | 6 |
| α-helix | 64-69 | 6 | |
| β-strand | 78-83 | 6 | 6 |
| α-helix | 85-87 | 3 | |
| β-strand | 94 | 1 | 4 |
| β-strand | 98 | 1 | 4 |
| β-strand | 104-112 | 9 | 6 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase | A, B | protein | 209 | Saccharomyces cerevisiae, Burkholderia pseudomallei | Q12306 (AlphaFold model), Q3JK38 (AlphaFold model) |
>4GIV_1 Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase (chains A, B) MGHHHHHHSGEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDS LRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGSTVVTTESGLKYEDLTEGSGAEAR AGQTVSVHYTGWLTDGQKFGSSKDRNDPFAFVLGGGMVIKGWDEGVQGMKVGGVRRLTIP PQLGYGARGAGGVIPPNATLVFEVELLDV
| ID | Name | Formula | Copies |
|---|---|---|---|
| 4GI | 3-(pyridin-3-yl)propyl (2S)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate | C20 H23 N3 O6 S | 2 |
Water and common crystallization additives (FMT) are not listed.
A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins. Begley, D.W., Fox, D., Jenner, D. et al. Antimicrob Agents Chemother (2014) 58:1458-1467. DOI 10.1128/AAC.01875-13 · PubMed
Other PDB entries of the same protein (UniProt Q12306 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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