########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######  

PETase ANnotation and Triage System

Nature's solution to a human-made health problem

DuraPETase

290 aa · engineered from IsPETase · Cui et al. 2021, ACS Catal.

10 mutations; +31 °C thermostability, ~300x activity

Structure, superposed on IsPETase

Aligned onto IsPETase 6EQE when it was written, so anything added below overlays directly and the browser does no alignment. The catalytic triad is drawn from the residues the geometry stage measured, not from positions inferred by an alignment.

Overlay another

Sequence 290 aa · 10 substitutions

catalytic triad   substitution against IsPETase  · the same colours as the viewer above. Triad positions are labelled; hover any residue for its number. Click one to select it in both.

MNFPRASRLMQAAVLGGLMAVSAAATAQTNPYARGPNPTAASLEASAGPFTVRSFTVSRPSGYGAGTVYYPTNAGGTVGAIAIVPGYTARQSSIKWWGPRLASHGFVVITIDTNSTFDYPSSRSSQQMAALRQVASLNGDSSSPIYGKVDTARMGVMGH160SMGGGASLRSAANNPSLKAAIPQAPWDSQTNFSSVTVPTLIFACEN206DSIAPVNSHALPIYDSMSRNAKQFLEINGGS237HSCANSGNSNQALIGKKGVAWMKRFMDNDTRYSTFACENPNSTAVSDFRTANCS

Activity

Optimum temperature37.0 °C
As publishedPublished as 37 °C.
Optimum pHnot recorded
Familypetase_like

Structure

Source ESMFold prediction
Mean pLDDT96.2
Residues290
Cα RMSD to IsPETase0.58 Å

Active site

Catalytic triadSer160 · His237 · Asp206
Ser OG → His NE22.97 Å
His ND1 → Asp OD2.71 Å
Oxyanion donor 1161 (2.86 Å)
Oxyanion donor 287 (4.48 Å)
Cleft width23.95 Å
Cleft depth4.26 Å
Cleft residues82

Aromatic clamp: PHE117 · PHE201 · TRP185 · TYR119 · TYR87

Mutations

S214H, I168R, W159H, S188Q, R280A, A180I, G165A, Q119Y, L117F, T140D

10 substitutions against IsPETase. Every one was applied by a routine that refuses any substitution whose stated parent residue does not match, so a wrong position or a mature-versus-precursor numbering shift fails loudly rather than producing a plausible but wrong sequence.

Ten-mutation redesign of IsPETase by the GRAPE strategy, Topt 37 C. All ten stated parent residues match IsPETase at offset 0, and the count agrees with the published ten. Ten independent positions agreeing by chance is ~20^-10, so the set is confirmed without needing the supplementary.

Reference: Cui et al. 2021, ACS Catal. doi:10.1021/acscatal.0c05126

Measured activity

ParameterValueSubstrateEvidenceSource
performance claim PET from review 10.1021/acscatal.0c05126
10 mutations; +31 °C thermostability, ~300x activity
topt 37.0 degC PET from review 10.1021/acscatal.0c05126
Published as 37 °C.

Related in PANTS

Lineage

Engineered from IsPETase.

Nearest metagenomic candidates

No candidate in the catalogue names this enzyme as its nearest match.

Identifiers and cross-references

Ten-mutation redesign of IsPETase by the GRAPE strategy, Topt 37 C. All ten stated parent residues match IsPETase at offset 0, and the count agrees with the published ten. Ten independent positions agreeing by chance is ~20^-10, so the set is confirmed without needing the supplementary.