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-d9416fc7602f

Human gut 358 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.34792-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-34792-length-4343-cov-4.755040_4

Retrieval

E-value2.20e-11
Bitscore31.0
Identity to nearest0.304
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT81.3
RMSD to IsPETase22.51 Å
Aligned fraction0.204

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

Active site

TriadS254/D304/H336
Ser–His3.0 Å
His–Asp3.02 Å
Cleft width20.56 Å
Cleft depth3.63 Å

Aromatic clamp: PHE195, PHE299, PHE337, TRP223, TRP261, TRP49, TYR175

Structure, superposed on IsPETase

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

Sequence

MMYRILILTVLAVWLILTLVGIGVVFRGGGEKSLAVPAPETEEPVEAQWQETEPPVPDSMEPTETSATVPQEEIPLQTETAEFHWKPTEETQSTEPPRQDQPNQTFLPVPKSAVEAQSVEKSLPEEQRAVADPEPEIPEETATGLNAMDTGLDILRRCWLYTPTNPQQNMPLIVYLHGGSGKGDDLNLITAVDGFPSYLQSGSFGNLRAYVLIPQLPAEQKGWAEVSDQLYELIQNLLETRGIDRGNISLTGHSMGGTGTWSIGAAYPSLFARIAPLSGSVRSPESTAAKLSDTPVWAFVGSEDTVVPPESSEQTIGWLMELSDQAKITVLEGADHFCVPSLAYLDGERNLVGWLIGG