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-bfcf8e94bfc1

Human gut 205 aa · assembly ERZ857611_FASTA_predicted_cds · contig ERZ857611.1849-k141-2689_1

Retrieval

E-value4.00e-12
Bitscore33.5
Identity to nearest0.251
Nearest characterisedEC:A0A9Y2YA38

Structure

Methodesmfold
Mean pLDDT89.0
RMSD to IsPETase10.63 Å
Aligned fraction0.204

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

Active site

TriadS92/D140/H169
Ser–His3.34 Å
His–Asp3.04 Å
Cleft width22.64 Å
Cleft depth3.66 Å

Aromatic clamp: PHE1, PHE114, PHE172, PHE63, TYR118, TYR136, TYR175, TYR32, TYR42

Structure, superposed on IsPETase

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

Sequence

FNTISVDEYSKEESFYVFYPKQNNKNVGIVLYPGALVEPLSYSYYANELSKEGYLVAIADVNFNLSILDNNKASKFIKMKADIEKWYVGGHSMGGVSAAMFAENNQDIVKGVIFLGSYPASSSDLSDNDIEVLSIYAENDGLTTIDNIEESKENLPAEAVFKEIDGGNHAQFGVYGDQSGDNEPEISWEEQQKEMIKITLEFLEK