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-2f3770bc2355

Compost 283 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.9737-NODE-9738-length-2266-cov-4.457259_2

Retrieval

E-value4.50e-99
Bitscore318.9
Identity to nearest0.589
Nearest characterisedPLC:A0A0U3MFB6

Structure

Methodesmfold
Mean pLDDT95.5
RMSD to IsPETase1.28 Å
Aligned fraction0.400

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

Active site

TriadS149/D196/H228
Ser–His2.91 Å
His–Asp2.88 Å
Cleft width19.68 Å
Cleft depth4.55 Å

Aromatic clamp: PHE191, PHE208, PHE229, PHE79, PHE89, TRP174

Structure, superposed on IsPETase

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

Sequence

MKLSKTTWALGLSCLLGAGIAQAQQIGPNPTSSQLNASAGPFAVSTSNVSSLVLGFGGGTIYYPTTSGSYGVIAVCPGFTGTESSIAWFARRLASHGFVTIAMNTNTTLDQPGSRATQIRAAINYVINSSSSTVRSRVNSSIRGAAGHSMGGGGTLIASADDASLKVGIPLTPWNTTSLGFTSIRVPQMIFGADGDSIAPNSSHARPFYNAIPTSTKKAYALLNNASHFTPNTTDERMGRYGVAFAKRFAYNDTRYTTFLTGSEHNSYNTSSRFDTFLSTGPF