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-1374ba10a5bb

Compost 310 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.6762-NODE-6762-length-6743-cov-5.322817_1

Retrieval

E-value1.50e-142
Bitscore461.6
Identity to nearest0.802
Nearest characterisedEC:A0ABX8C4W7

Structure

Methodesmfold
Mean pLDDT92.1
RMSD to IsPETase1.31 Å
Aligned fraction0.442

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

Active site

TriadS177/D223/H255
Ser–His3.0 Å
His–Asp2.82 Å
Cleft width17.23 Å
Cleft depth4.4 Å

Aromatic clamp: PHE235, PHE256, TRP202, TYR109

Structure, superposed on IsPETase

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

Sequence

MRTYPLSPETESPRPSLRARVTRFASRAAMTLALVAGVTGGVVAPAHAANPYERGPAPTERSVTATRGHFDTDSVSVSSLVRGFGGGTIYYPTDRSEGTFGGVVIAPGYTASSSSMSWMGHRFASQGFVVFTIDTITRVDQPNSRGRQIEAALDYLANDSRVADRVDGDRMAVMGHSMGGGGTLAAADSRPELKAAIPLTPWHTQKRWSNVQVPTMIIGAENDVTASVRLHSIPFYESLDSNLDRAYVELRGASHFAPNVSNSTIAKYSISWLKRFVDEDERYTQFLCPAPRTGFGTDFSDYRDSCPHGG