Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######

PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-b72c6e2d6f64

Landfill 414 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.910-NODE-910-length-17471-cov-6.531408_8

Retrieval

E-value8.00e-18
Bitscore52.2
Identity to nearest0.246
Nearest characterisedEC:A0A919RR95

Structure

Methodesmfold
Mean pLDDT83.7
RMSD to IsPETase17.57 Å
Aligned fraction0.242

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadSNone/DNone/HNone
Ser–HisNone Å
His–AspNone Å
Cleft widthNone Å
Cleft depthNone Å

Aromatic clamp:

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

MVGLVFLCIILCAETYIFIVKTRFPALSNNYPRVIRFSLLVFFIMMLGVNAFSWGFRYYPIIVLYVCLIALNEWRIFRSQSKHKHTRRGIITLLFIATAFLPSVLFPLSQPLKPTGILTVKTTRLFFTDTSRIELYSDKGGARAFSARVWYPESTDELYPLILYSHGGISLDTSNESLFIELASHGYVVLSVAHDYHSIVTTNEHGKNRWINSGYLNELNREDAKKDPENSVALYHEWMQYRSADLVYIMDSLTQDNEVMARIDTTRIGVVGHSLGGSVALCMGRSQSRVKVVIALESPFMCDITGVDEGGFVFDETEYPTPVLNIYSDSAFAHLGSWPQYKANYRLLSTTNPSNHFLHIEGTHHFSLTDLSLTSPLLARILNGEKSSRDAQETLQIINSVSLEFLNNYLKQGE