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-7b3c1e20c460

Landfill 250 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.94436-NODE-94436-length-1026-cov-3.077240_1

Retrieval

E-value6.40e-35
Bitscore108.3
Identity to nearest0.304
Nearest characterisedEC:A0A931AKC4

Structure

Methodesmfold
Mean pLDDT87.7
RMSD to IsPETase9.39 Å
Aligned fraction0.234

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

Active site

TriadS157/D205/H236
Ser–His3.12 Å
His–Asp3.25 Å
Cleft width21.23 Å
Cleft depth4.51 Å

Aromatic clamp: PHE156, PHE217, TRP120, TRP239, TRP84, TYR188, TYR240

Structure, superposed on IsPETase

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

Sequence

MKGTSLSRTIVALFIALALAMLLAYGCEPGNGNGGDADPSTPGTFTKCTYTSNLSDSGYSSAIVYYPCETSSGPFAATTLTGGWTNTKEDMEWMGNHLVSHGYIIIAMTPNDNLGNNPEWTTAHNAGITKLKAENTRTGSPIRGLVKTNALQIMGFSKGGGGALLAAASQGTALKSVQALAPHMDSSYNLSGIRASAICHAGSSDRIVAASKVKEQFDSLPTAIDRTFANFEGLSHLDWYGSSGSYRDRT