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-3f129f09247b

Human gut 307 aa · assembly ERZ4239629_FASTA_predicted_cds · contig ERZ4239629.268-NODE-268-length-15041-cov-5.651341_9

Retrieval

E-value2.80e-14
Bitscore40.5
Identity to nearest0.319
Nearest characterisedPLC:A0A0M1P5R7

Structure

Methodesmfold
Mean pLDDT91.0
RMSD to IsPETase6.50 Å
Aligned fraction0.230

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

Active site

TriadS165/D227/H257
Ser–His3.07 Å
His–Asp2.62 Å
Cleft width21.42 Å
Cleft depth1.55 Å

Aromatic clamp: PHE197, PHE21, TRP15, TRP17, TRP206, TYR13, TYR208

Structure, superposed on IsPETase

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

Sequence

MEKIKKQLQIILYVWVWLLSFSAADAATVITDEYWITTADQGKIEQRYRSLGIYEVAKKTVSRKEEQYGNYTYRVWYPKRLETENRKWPMVFLLNGTTSTCDLDEPIFEHLASWGFIVVGNTDRNTGLGYSAEWGLELMDKLAADRKSVFFQKIDEENLGIGGHSQGGVGAVKTILFRKGGGRFKTVVTVSAVTESFANKLKMNSWKYDASAVNVPWFMVSGDRLDDRLITPLPDMEKIFQKAKTAMVMGRRSHADHSHVQAEADAYVTAWFRWQLAGDRYAAKAFLGKDAEILTNKGWNHTARKNL