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-0f15970cbfdf

Compost 194 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.139382-NODE-139382-length-582-cov-1.982922_1

Retrieval

E-value2.80e-101
Bitscore326.1
Identity to nearest0.774
Nearest characterisedPLC:A0A168EN35

Structure

Methodesmfold
Mean pLDDT90.3
RMSD to IsPETase1.67 Å
Aligned fraction0.317

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

Active site

TriadS81/D127/H159
Ser–His3.07 Å
His–Asp3.0 Å
Cleft width23.99 Å
Cleft depth4.16 Å

Aromatic clamp: PHE121, PHE122, PHE139, PHE160, TRP106, TYR13, TYR164, TYR43

Structure, superposed on IsPETase

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

Sequence

DGDFGAVVISPGYTGTESTISWLGPRLASQGFVVLTMATNSIYDQPDSRARQLQAALDYLTDDSPVADRIDPDRLALMGHSMGGGGTLRAVDDNPDIKAAIPMTPWHLNLDWSSVSTPSLFFVAEVDAVSRHETHAEPFYESFDRDLPKAYLELDGASHFAPNYSNTTIAKYSISWLKRFVDDDERYTQFLCPG