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-fddfd0b0d10e

Compost 308 aa · assembly ERZ794970_FASTA_CDS_annotated · contig ERZ794970.1602-NODE-1602-length-12646-cov-5.560559_8

Retrieval

E-value2.20e-142
Bitscore461.0
Identity to nearest0.799
Nearest characterisedEC:A0ABX8C4W7

Structure

Methodesmfold
Mean pLDDT92.5
RMSD to IsPETase1.77 Å
Aligned fraction0.434

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

Active site

TriadS177/D223/H255
Ser–His3.0 Å
His–Asp2.81 Å
Cleft width17.24 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

MRTYPLSPETESPRPSLRARVTRFASRAAMTLALVAGVTGGVVAPAHASNPYERGPAPTERSVTATRGHFDTDSVNVSSLVRGFGGGTIYYPTDRSQGTFGGVVIAPGYTASSSSMSWMGHRFASQGFVVFTIDTITRVDQPNSRGRQIEAALDYLANDSRVADRVDGDRMAVMGHSMGGGGTLAAANSRPELKAAIPLTPWHTQKRWSNVQVPTMIIGAENDVTASVRLHSIPFYESLDRNLDRAYVELRGASHFAPNVSNSTIAKYSISWLKRFVDEDERYTQFLCPAPRTGFGTDFSDYRDSCPH