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-6aff5403a2f3

Human gut 151 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.266521-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-266521-length-785-cov-2.621469_2

Retrieval

E-value7.40e-09
Bitscore22.8
Identity to nearest0.326
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT85.6
RMSD to IsPETase16.60 Å
Aligned fraction0.132

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

Active site

TriadS13/D61/H95
Ser–His3.06 Å
His–Asp3.02 Å
Cleft width22.59 Å
Cleft depth5.35 Å

Aromatic clamp: PHE102, PHE144, PHE22, TRP143, TYR138, TYR148, TYR17

Structure, superposed on IsPETase

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

Sequence

AIDTTRVYVLGMSLGGYGTMDFVAAYPDKVAAAMALCGGCSVKEPAGLGQVPLWIMHGTADRAVPIAQSKRVVDYLQQSGNDQLLRYDWIKGGNHGTPARLFYLQKTYDWLFSHSLHDSPRTVDRTFDIDMDDIRQTYDELRWFRGMYDND