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-66309d2e1809

Human gut 180 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.212725-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-212725-length-843-cov-2.125326_2

Retrieval

E-value2.50e-09
Bitscore24.3
Identity to nearest0.359
Nearest characterisedEC:A0A1V0A5L2

Structure

Methodesmfold
Mean pLDDT93.2
RMSD to IsPETase18.35 Å
Aligned fraction0.136

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

Active site

TriadS29/D77/H112
Ser–His3.02 Å
His–Asp3.1 Å
Cleft width16.65 Å
Cleft depth6.71 Å

Aromatic clamp: TRP110, TRP36, TYR120

Structure, superposed on IsPETase

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

Sequence

MSQVVKALIDELVSLQQIDPRRIYILGGSMGGTGTWKLLSDYPNFFAAGMPCAANPKGMSATNVATTPVYSVMGLADRIMNAEVRATAEAFVGQLVALGDEAELETVEGWSHEATCIQSYSAERLDWLFAHQLPLQTGIETVAAPESNNEERWFTLQGVAIDKPKSRGIYIHRGKKVFVK