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-a68e278f8889

Human gut 302 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.160071-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-160071-length-1100-cov-2.590420_1

Retrieval

E-value2.50e-20
Bitscore60.4
Identity to nearest0.330
Nearest characterisedPLC:A0A163MA58

Structure

Methodesmfold
Mean pLDDT95.6
RMSD to IsPETase7.52 Å
Aligned fraction0.245

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

MILRFLKIILIVAVILVITLSIILLLLSMQPFVPNNYTQTVKTGGELEAKYLAMGASQVEHMEVPTEKEWGNINVYYPKELTENAKSYPVVVMVNGTGVYSSKYPALFKHLASWGFIVVGNEDPSTCSGSSADTTLAWLLNENENPDSRFYQKVDAEHIGISGHSQGGVGVFNAINEQPHGSLYTCAVSLSPTQLELAEALNMHYAPDKTNIPVFLLAATENDVITPDGAKQLYDAVKNDKAVALRNGMDHGKMLYSADGYVTAWFMWYLKGDTEAAKVFTGDAPELLSNQLYQEQQIDMDA