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-1759f98114b6

Human gut 307 aa · assembly ERZ4239636_FASTA_predicted_cds · contig ERZ4239636.1553-NODE-1553-length-4876-cov-3.869322_6

Retrieval

E-value2.00e-14
Bitscore41.0
Identity to nearest0.324
Nearest characterisedPLC:A0A0M1P5R7

Structure

Methodesmfold
Mean pLDDT90.6
RMSD to IsPETase7.74 Å
Aligned fraction0.234

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

Active site

TriadS165/D227/H257
Ser–His3.08 Å
His–Asp2.62 Å
Cleft width20.86 Å
Cleft depth1.72 Å

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

Structure, superposed on IsPETase

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

Sequence

MEKIKKQLQIILYVWVWLLSFSAADAAEAITDEYWITTADRGKIEQRYRNLGIYEVAKKTVSRKEEQYGNYTYRVWYPKRLETENRKWPMVFLLNGTTSTCDLDEPIFEHLASWGFIVVGNTDRNTGLGYSAEWGLELMDKLAADRKSVFFQKIDEENLGIGGHSQGGVGAVKTILFRKGGRRFKTVVTVSAVTESFADKLKMNSWKYDASAVNVPWFMVSGDRLDDRLITPLPDIEKIFQKAKTAMVMGRRSHADHSHVQAEADAYVTAWFRWQLAGDRYAAKAFLGKDAEILTNKGWNHTARKNL