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-6e05e5560d6f

Human gut 175 aa · assembly ERZ652579_FASTA_predicted_cds · contig ERZ652579.7295-NODE-7295-length-1604-cov-4.12976_2

Retrieval

E-value1.50e-11
Bitscore31.6
Identity to nearest0.306
Nearest characterisedEC:A0ABW2CZA0

Structure

Methodesmfold
Mean pLDDT87.1
RMSD to IsPETase12.33 Å
Aligned fraction0.226

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

Active site

TriadS73/D122/H154
Ser–His3.19 Å
His–Asp3.13 Å
Cleft width20.65 Å
Cleft depth4.87 Å

Aromatic clamp: PHE129, PHE161, PHE35, PHE80, TRP157, TRP20, TYR117, TYR23, TYR36

Structure, superposed on IsPETase

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

Sequence

NQTKYPAIIIAPQCPAEKTWSEYKGLNAGKEGKRFYPLNAPATQSMAAVKELLDSYIAEGKVDTKRIYVTGLSMGGMGTFDIVMRYPNLFAAATPICGGANLQRLANFKGKTAFSIYHGGSDSVVDVQFSRDANEALKKAGADVRYKEFPGVDHNSWDNAFAEPDYLAWMFQHSL