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-a261334522ec

Landfill 275 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.117039-NODE-117039-length-912-cov-1.354726_1

Retrieval

E-value1.20e-92
Bitscore297.8
Identity to nearest0.777
Nearest characterisedPLC:A0A078MGG8

Structure

Methodesmfold
Mean pLDDT79.7
RMSD to IsPETase5.06 Å
Aligned fraction0.396

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

Active site

TriadS175/D221/H253
Ser–His2.85 Å
His–Asp2.84 Å
Cleft width21.09 Å
Cleft depth4.08 Å

Aromatic clamp: PHE102, PHE132, PHE216, PHE233, TRP174, TRP199, TYR254

Structure, superposed on IsPETase

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

Sequence

MKTLSLSKTLLSALAASALLFSASALATNPAPPADEPSNPGGSSPYQRGPDPSVSFLEGSRGQYRVANTNVSGLVSGFGGGTIHYPSNAEGSMAAVVVIPGFVSAESSIDWWGPKLASYGFVVMTIDTNTGFDQPPSRARQINNALDYLVDRNSDRNSPVRGMIDTQRLGVIGWSMGGGGTLRVASEGRIKAAIPLAPWDTSSFYARRAAAPTLIFACQSDIIAPVRSHASPFYNSLPSSIDKAYVELNNGSHYCGNGGSSFGRYDAVLGRFGVS