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-2cc6ed0d4170

Compost 367 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.606-NODE-606-length-34043-cov-6.434977_29

Retrieval

E-value5.90e-144
Bitscore466.2
Identity to nearest0.875
Nearest characterisedEC:A0A975LD17

Structure

Methodesmfold
Mean pLDDT87.0
RMSD to IsPETase1.22 Å
Aligned fraction0.426

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

Active site

TriadS234/D280/H312
Ser–His2.98 Å
His–Asp2.83 Å
Cleft width14.78 Å
Cleft depth4.28 Å

Aromatic clamp: PHE313, TRP259, TYR166, TYR196

Structure, superposed on IsPETase

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

Sequence

MRVHTFDLIVEPTSRRVTKGRPISPKVLFPGNPRSATSPRNADSRCTRKGKDVRTDSPPSPIPAERTRSGSRARSWVSAVAVKSALVVGLALFGAGATVAPAQASSPYERGPDPTERSVTAIRGHFDTDTTSVSSLRARGFGGGTIYYPTDTSEGTFGGVVIAPGYTASQSSMSWYGHRIASQGFVVFTIDTNTRYDQPNSRGRQIEAALDYLVEDSSVTDRVDGDRLAVMGHSMGGGGTLAAADARPELRAAIPLTPWHTSKRWSNLQTPTLIIGAENDVTASVRLHSIPMYESLPSSLDRAYLELRGASHFAPNVSNTTIAKYSISWLKRFVDEDERYEQFLCPPPRTGFGTDFSDYRDSCPHGG