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-1f9b21ff90c0

Compost 189 aa · assembly ERZ794970_FASTA_CDS_annotated · contig ERZ794970.45313-NODE-45313-length-875-cov-1.413415_1

Retrieval

E-value3.30e-09
Bitscore23.9
Identity to nearest0.275
Nearest characterisedEC:A0ABN3QL32

Structure

Methodesmfold
Mean pLDDT93.4
RMSD to IsPETase11.05 Å
Aligned fraction0.158

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

Active site

TriadS86/D134/H166
Ser–His3.04 Å
His–Asp3.36 Å
Cleft width18.91 Å
Cleft depth4.59 Å

Aromatic clamp: PHE11, PHE129, PHE54, TRP169, TRP55, TRP93, TYR161, TYR173, TYR28, TYR90

Structure, superposed on IsPETase

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

Sequence

QTEQKWPLILFLHGMNQRGNDVQLIKKYGIPKVAEEQPDFPFIAVSPQCPESMFWPLETDALNALLDEVIAKYPVDPDRVYLTGLSMGGYGTWTLATVSPDRFAAIAPICGGGIPVMASQLKDVPVWAFHGAKDDVVPLSESERMVEALKACGAEVRFTVYPEAAHNAWTETYNNEALYDWFLSHKRKK