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-7359d27c77d1

Marine plastisphere 262 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.2847-NODE-2847-length-5533-cov-4.059693_1

Retrieval

E-value2.20e-10
Bitscore27.8
Identity to nearest0.244
Nearest characterisedEC:A0ABV9U3U3

Structure

Methodesmfold
Mean pLDDT94.9
RMSD to IsPETase15.75 Å
Aligned fraction0.196

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

Active site

TriadS12/D86/H11
Ser–His2.74 Å
His–Asp3.33 Å
Cleft width18.28 Å
Cleft depth6.73 Å

Aromatic clamp: PHE171, PHE65, PHE75, PHE8, PHE80

Structure, superposed on IsPETase

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

Sequence

MPTERITFSGHSGEELAARLDLPDGPVLATALFAHCFTCSKDIPAARRISARLAGAGIAVLRFDFTGLGHSGGEFENTTFRTNIDDLLEAAKALDARGMGPQMLIGHSLGGAAVLGAARRIESVRAVVTIGAPFDPGHVTHNFGGALEDIATHGASEVMLGGRPIRIGQNFVENVKAENLEGEIANLKRALLVLHAPRDATVGIENASAIFRTAKHPKSFITLDNADHLISAPEDAEYAAELISSWATRYLDLRPPAPPPGA