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-5a6ea2a7e743

Human gut 217 aa · assembly ERZ4560928_FASTA_predicted_cds · contig ERZ4560928.28206-Hadza-MoBio-C-REDO-E-3-1554--NODE-28206-length-1604-cov-3.944335_1

Retrieval

E-value3.00e-10
Bitscore27.3
Identity to nearest0.414
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT94.1
RMSD to IsPETase14.15 Å
Aligned fraction0.189

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

Active site

TriadS130/D178/H212
Ser–His3.02 Å
His–Asp3.12 Å
Cleft width15.6 Å
Cleft depth4.12 Å

Aromatic clamp: PHE139, PHE58, TRP101, TYR134, TYR75

Structure, superposed on IsPETase

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

Sequence

MKRLLSLMLGIIIATTLARAQYDYIRPVTDEIPGGYNFWVYTPTDYYYTYENTPVIIFLHGQSLCGRDINRVRRYGPLDAIVRGREIPALVIVPQNPGGAWNPAKINDVLEWTKHNYPCDSTRVYVMGMSLGGYGTMDFAGTYPDKVAAAMALCGGSTLKDKSGLGRLPFWIIHGTADRAVPVKHSQSVVKELKDSGNDTRLRYDWLAGASHGALAR