Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

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

PANTS-2625b759dab1

Human gut 274 aa · assembly ERZ4239616_FASTA_predicted_cds · contig ERZ4239616.18288-NODE-18288-length-825-cov-1.862338_1

Retrieval

E-value1.60e-10
Bitscore28.2
Identity to nearest0.327
Nearest characterisedEC:A0A243RI45

Structure

Methodesmfold
Mean pLDDT85.5
RMSD to IsPETase22.84 Å
Aligned fraction0.196

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

Active site

TriadS175/D225/H257
Ser–His3.01 Å
His–Asp3.07 Å
Cleft width18.08 Å
Cleft depth2.77 Å

Aromatic clamp: PHE182, PHE258, TRP144, TYR97

Structure, superposed on IsPETase

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

Sequence

AQQDLTPVLEAGTPAPESAAETPAAAPAATPSAAPSAAPSATPAAAPAATPSASPSATPSASPEAEGASLETGEAGGLDYWLYAPPGARDGLPLIVYLHGGSGRGDDLELVMEAESLPQFLRDGDLALSAYVVMPQLPGGETGWNAVTEGLAELIDAVVEECGADAGRVSLTGHSMGGTGAFAVAAAMPGRFSCAAPLSGSVRDTREMRAALADLPVWAIAGAQDDVVDPAAARDFLAALRAVNPDARYTEVEDAGHFDLPARAYLDGEIGLVR