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-1a777b0f8087

Compost 365 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.8399-NODE-8400-length-2468-cov-13.719436_1

Retrieval

E-value7.90e-13
Bitscore35.8
Identity to nearest0.298
Nearest characterisedEC:D1A646

Structure

Methodesmfold
Mean pLDDT77.9
RMSD to IsPETase21.45 Å
Aligned fraction0.211

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

Active site

TriadS258/D313/H345
Ser–His2.86 Å
His–Asp3.25 Å
Cleft width16.8 Å
Cleft depth2.63 Å

Aromatic clamp: PHE291, TRP130, TYR131, TYR255, TYR266

Structure, superposed on IsPETase

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

Sequence

MVSLTKAKAGLFAAVLAGSLATSAIVIAAQPPGPGAGAPGAGAPGGGPPRQALDPRVQQRTYVFEETKEELPYAVFVSSKVSKDKKNPVIIALHGLGGDPNTLLRGATLDKAEEGGYILVGPMGCNSSGWYGAPSTMANGPCGAGGGMSMGGPPRGGAGGPPGAGGPPGGAPRGAGGPPGAGGPPGAGGPPGAGGPPRGAGGPPGAGGPPGMGGAAPTTLGVSNEVSQRSEKDVMTVLDMVRKEFNVDENRIYIYGHSMGGAGAIYLGVKHANIWAGIAAIAPAHAPAGIFASNYSLAPAKHVPMMIVQGTKDQLIPLDGVRQWVDQMKDLEMTYQYLEIGGGDHGTVMSNAVDIIEFFNKHKKQ