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 health problem

PANTS-72829784c250

Human gut 284 aa · assembly ERZ4239668_FASTA_predicted_cds · contig ERZ4239668.11-NODE-11-length-97718-cov-14.807962_50

Retrieval

E-value1.70e-05
Bitscore11.8
Identity to nearest0.246
Nearest characterisedEC:A0A3N1D7Y0

Structure

Methodesmfold
Mean pLDDT93.7
RMSD to IsPETase20.60 Å
Aligned fraction0.181

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

Active site

TriadS156/D227/H256
Ser–His3.15 Å
His–Asp3.17 Å
Cleft width26.17 Å
Cleft depth2.59 Å

Aromatic clamp: PHE111, PHE116, PHE153, PHE183, PHE260, PHE33, PHE34, TRP232, TRP95, TYR113, TYR186, TYR205, TYR35, TYR36

Structure, superposed on IsPETase

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

Sequence

MALPVNKRVLKILFILFVVAFCVYLVPRVAINFFYYPDDKIYGPDPWSAESVEFTAKDGTRLQGWFIPSSTGPADNAIATIIHAHGNAGNMSAHWPLVSWLPERNFNVFMFDYRGFGKSKGTPSQAGLLDDTKSAINVVRHRSDVNPQRLVLFGQSIGGANILDVIGQDDREGIRAVILDSTFASYATIANQMIPGSGYLLDESYSGENYIASVSPIPLLLIHGKADHVIPWQHSEKLYSLAKEPKRLILIPDGEHIDAFSDRHGDVYREQMVDFILSALNPQN