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-d8f29f519930

Human gut 437 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.111358-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-111358-length-1313-cov-2.273463_1

Retrieval

E-value1.20e-08
Bitscore22.0
Identity to nearest0.284
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT87.6
RMSD to IsPETase21.26 Å
Aligned fraction0.245

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

Active site

TriadS310/D392/H424
Ser–His3.04 Å
His–Asp3.17 Å
Cleft width21.7 Å
Cleft depth2.99 Å

Aromatic clamp: PHE314, PHE63, TRP241, TRP277, TRP342, TRP347, TYR226, TYR227, TYR228, TYR242, TYR311, TYR318, TYR341, TYR346, TYR349, TYR351

Structure, superposed on IsPETase

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

Sequence

MYRTTFVRMNAYTGEAETLMADTTFINSARFSPNGQQLLISASPAAFAGIGSEVKEGQIPQGFDYRLYLYDIASKKTTPALRQFTPSVADFMWNAGDGQIYFTADNRMGRSFFRLNPKTLQVVKYELPVTYVQDFSLATNAKSAPRLVFFGQTPQRARDMYTCELNKTKPTTRRIGSINFDEIYKDVAIAPSTSWQFKATRGDSIDGFYLLPPNFDSSKKYPMIVYYYGGCSPSSNLLESWYPFQTFASQGYVVYVLNPSGTTAYGQEFAARHVNTWGKESGDDIIQGVKEFCKAHSFVDSKHIGCIGASYGGFMTEYLQTQTDIFAAAISHAGISNITSYWGGGYWGYSYGETAQYGSFPWNNPDLYVKQSPLFNADKIHTPLLLLHGTADTNVPTNESQQLYNALKILGRDVTYVQVEGENHVITDYNKRLAWLN