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-faf8027f90b9

Human gut 279 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.25166-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-25166-length-6366-cov-3.197011_3

Retrieval

E-value3.50e-10
Bitscore27.1
Identity to nearest0.383
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT87.4
RMSD to IsPETase12.66 Å
Aligned fraction0.223

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

Active site

TriadS130/D178/H212
Ser–His3.17 Å
His–Asp2.95 Å
Cleft width15.53 Å
Cleft depth4.3 Å

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

Structure, superposed on IsPETase

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

Sequence

MKRLLSLMFGIIIATTLARAQYDYIRPVTDEIPGGYNFWVYTPTDYYYTYENTPVIIFLHGQSLCGRDINRVRRYGPLDAIVRGREIPALVIVPQNPGGAWNPAKINDVLEWTKHNYPCDSTRVYVMGMSLGGYGTMDFAGTYPDKVAAAMALCGGSTLKDKSGLGRLPFWIIHGTADRAVPVKHSQSVVKELKDSGNDTRLRYDWLAGASHGALARVLYMKKTYEWLFSHSLTDPDRPVRRDISIDKADLTRAYNDMKKGLPNPEVIYDKTITDDEDD