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-a8fdac7a3874

Human gut 358 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.42204-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-42204-length-4089-cov-2.048604_5

Retrieval

E-value2.00e-11
Bitscore31.2
Identity to nearest0.296
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT81.3
RMSD to IsPETase22.48 Å
Aligned fraction0.208

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

Active site

TriadS254/D304/H336
Ser–His2.99 Å
His–Asp3.03 Å
Cleft width17.87 Å
Cleft depth4.42 Å

Aromatic clamp: PHE195, PHE299, PHE337, TRP223, TRP261, TYR175

Structure, superposed on IsPETase

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

Sequence

MMYRILILTVLAVWLILTLVGIGVVFRGDGEKSLAVPAPETEEPVEAQWQETEPPVPDSMEPTETSVTVPQEEIPLQTETAEFHWKPTEETQPTEPPRQDQPNQTFLPVPKSAVEAQSVEKSLPEEQRAVADPEPEIPEETATGLNAMDTGLDILRRCWLYTPTNPQQNMPLIVYLHGGSGKGDDLNLITAVDGFPSYLQSGSFGNLRAYVLIPQLPAEQKGWAEVSDRLYELIQNLLETRGIDRGNISLTGHSMGGTGTWSIGAAYPSLFARIAPLSGSVRSPESTAAKLSDTPVWAFVGSEDTIVPPESSEQTIGWLMELSDQAKITVLEGADHFSVPSLAYLDGERNLVGWLIGG