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-511b51761a59

Human gut 263 aa · assembly ERZ4560895_FASTA_predicted_cds · contig ERZ4560895.36588-Hadza-MoBio-hadza-A-D-J-9-1548--NODE-36588-length-1179-cov-2.044465_1

Retrieval

E-value3.30e-10
Bitscore27.2
Identity to nearest0.383
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT91.9
RMSD to IsPETase9.97 Å
Aligned fraction0.204

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

Active site

TriadS130/D178/H212
Ser–His3.17 Å
His–Asp2.97 Å
Cleft width15.57 Å
Cleft depth4.28 Å

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

Structure, superposed on IsPETase

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

Sequence

MKRLLSLMLGIIIATTLARAQYDYIRPVTDEIPGGYNFWVYTPTDYYYTYENTPVIIFLHGQSLCGRDINRVRRYGPLDAIVRGREIPALVIVPQNPGGAWNPAKINDVLEWTKHNYPCDSTRVYVMGMSLGGYGTMDFAGTYPDKVAAAMALCGGSTLKDKSGLGRLPFWIIHGTADRAVPVKHSQSVVKELKDSGNDTRLRYDWLAGASHGALARILYMKKTYEWLFSHSLTDPDRPVRRDISIDKSDLTRAYNDMKKGLP