6O49: PDB entry 6O49

Crystal structure of smt fusion peptidyl-prolyl cis-trans isomerase from burkholderia pseudomallei complexed with SF339. Determined by X-ray diffraction at 1.85 Å resolution. Released 12 Feb 2020.

Method
X-ray diffraction
Resolution
1.85 Å
Organisms
Saccharomyces cerevisiae, Burkholderia pseudomallei (strain 1710b)
Chains
2
Atoms
3,374
Mol. weight
47.31 kDa
Ligands
CA, LL7
Released
12 Feb 2020

Explore 6O49 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6O49 contains 15 α-helices and 32 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.

Chain A: 8 helices, 16 β-strands

ElementResiduesLengthSheet
β-strand-75--6971
β-strand-64--5871
α-helix-52--4310
α-helix-38--363
β-strand-34--3141
β-strand-28--2721
α-helix-26--252
β-strand-11--661
β-strand3-532
β-strand11-1662
β-strand19-2243
α-helix231
β-strand28-37102
β-strand42-4542
α-helix47-493
β-strand53-5642
α-helix64-696
β-strand74-7523
β-strand78-8362
α-helix85-873
β-strand9414
β-strand9814
α-helix991
β-strand104-11292
Chain B: 7 helices, 16 β-strands
ElementResiduesLengthSheet
β-strand-75--6975
β-strand-64--5875
α-helix-53--4311
α-helix-38--363
β-strand-35--3155
β-strand-28--2725
α-helix-26--252
β-strand-11--575
β-strand4-526
β-strand11-1666
α-helix211
β-strand2217
α-helix231
β-strand28-37106
β-strand42-4546
β-strand53-5646
α-helix64-696
β-strand7417
β-strand78-8366
α-helix85-873
β-strand9418
β-strand9818
β-strand104-11296

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Ubiquitin-like protein SMT3,Peptidyl-prolyl cis-trans isomeraseA, Bprotein209Saccharomyces cerevisiae, Burkholderia pseudomallei (strain 1710b)Q12306 (AlphaFold model), Q3JK38 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>6O49_1 Ubiquitin-like protein SMT3,Peptidyl-prolyl cis-trans isomerase (chains A, B)
MGHHHHHHSGEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDS
LRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGSTVVTTESGLKYEDLTEGSGAEAR
AGQTVSVHYTGWLTDGQKFDSSKDRNDPFAFVLGGGMVIKGWDEGVQGMKVGGVRRLTIP
PQLGYGARGAGGVIPPNATLVFEVELLDV

Ligands and cofactors

IDNameFormulaCopies
CACalcium ionCa2
LL7(2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(pheny…C25 H33 N3 O7 S2

Water and common crystallization additives (EDO) are not listed.

Primary citation

CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339. Iwasaki, J., Lorimer, D.D., Vivoli, M. et al. To be published.

Other PDB entries of the same protein (UniProt Q12306 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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