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-242d5314c2b8

Human gut 304 aa · assembly ERZ24772302_FASTA_predicted_cds · contig ERZ24772302.19305-NODE-19305-length-3483-cov-44.120478_5

Retrieval

E-value2.60e-20
Bitscore60.3
Identity to nearest0.328
Nearest characterisedPLC:A0A163MA58

Structure

Methodesmfold
Mean pLDDT95.6
RMSD to IsPETase7.46 Å
Aligned fraction0.249

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

Active site

TriadSNone/DNone/HNone
Ser–HisNone Å
His–AspNone Å
Cleft widthNone Å
Cleft depthNone Å

Aromatic clamp:

Structure, superposed on IsPETase

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

Sequence

MILRFLKIILIVAVILVITISIILLLLSMQPFVPNNYTQIVKTGGELEAKYLAMGASQVEHMEVSTEEEWGNINVYYPKELTESAKSYPVVVMVNGTGVYSSKYPALFKHLASWGFIVIGNEDPSTCSGSSADTTLAWLLNENENPDSRFYQKVDEEHIGISGHSQGGVGVFNAINEQPHGSLYTCAVSLSPTQLDLAEALNMHYEPDKTNIPVFLLAATESDVITPDGAKQLYDAVKNDKAVALRNGMDHGKMLYSADGYVTAWFMWYLKGDTEAAKVFTGDAPELLRNQLYQEQQIDISCIN