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-04fa4d3083a7

Compost 291 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.29263-NODE-29265-length-1311-cov-3.847134_1

Retrieval

E-value2.80e-08
Bitscore20.9
Identity to nearest0.241
Nearest characterisedEC:A0A8J3PRQ9

Structure

Methodesmfold
Mean pLDDT84.9
RMSD to IsPETase19.30 Å
Aligned fraction0.223

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

Active site

TriadS153/D206/H240
Ser–His2.88 Å
His–Asp3.07 Å
Cleft width16.68 Å
Cleft depth4.61 Å

Aromatic clamp: PHE201, PHE67, TRP123, TRP160, TRP245, TYR115, TYR249

Structure, superposed on IsPETase

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

Sequence

MNITRGKNVAVACILFSVFSLLVNLSYAQDGSQVKIAKNTNGNTFGYLQFLPEGYLSNSNLYPTIIFLHGAGERGNGSSAALDLVDNQGTPKFINQGSKMCFTVEGTQQCFIVLYPQQSTARWGWQGDVIPFIEFAMTKYRIDPDRIYVTGLSMGGDGSWDTSYGSDNDVNRIAAIAPVSGEGDYNQAKKTANHKIAVWSFHGDKDTAVPMADGKRPINGMNSVGANPAPIWTVITGGGHSGSTWDKVYSTGNTYFTPNIYQWFLTKKRFTENPVVPSPPHAPTNFSATCS