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-99c1f5a2fcac

Human gut 414 aa · assembly ERZ4560756_FASTA_predicted_cds · contig ERZ4560756.28812-Hadza-MoBio-hadza-E-H-G-1-1731--NODE-28812-length-4112-cov-2.462206_2

Retrieval

E-value7.70e-12
Bitscore32.5
Identity to nearest0.276
Nearest characterisedEC:A0A7W9GDV7

Structure

Methodesmfold
Mean pLDDT89.8
RMSD to IsPETase19.79 Å
Aligned fraction0.249

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

Active site

TriadS311/D361/H393
Ser–His2.81 Å
His–Asp3.1 Å
Cleft width23.01 Å
Cleft depth4.42 Å

Aromatic clamp: PHE252, PHE281, PHE356, TRP280, TRP318, TRP401, TYR232

Structure, superposed on IsPETase

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

Sequence

MKRTMNKILAMLLAAILLAAPVCAAQTGYTDVPENAWYEEAIRTVTEQGWMDGTGSGKFSPNATLTRAMLATVLWRMENCPAAAATGNFTDTVRGSWYDGGVSWCVAEGIFQGFPDGSFHPNDAITREQLALVFYRYADAKPTETAAKVSVKNGCSWALDACAWANTEGLFTDALGTLDLCAPASRAEIAYWLAHFDVGTSASSLTEGSFEGLGYLLYTPENAEKNMPLLVYLHGSHGKGSDLSVLTTTDGFPQYLADGLFGEVPAYVLIPQLPASEKGWFSSADTVMALIDTICEEKTIDRSRIALTGHSMGGTGTWDLALAYPDIFSRVAPMSGSIKTTSDTLKTLETMPIWAFVGEDDVVVKPESTETFIESVSEQNSDARVTVFEATDHVGVLQRAWLENGKALLNWLLQ