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-0c3f586995eb

Human gut 312 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.24709-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-24709-length-5136-cov-5.042301_2

Retrieval

E-value3.70e-09
Bitscore23.7
Identity to nearest0.272
Nearest characterisedEC:A0ABY3LNA1

Structure

Methodesmfold
Mean pLDDT86.4
RMSD to IsPETase24.83 Å
Aligned fraction0.200

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

Active site

TriadS208/D258/H290
Ser–His2.89 Å
His–Asp3.07 Å
Cleft width17.44 Å
Cleft depth2.27 Å

Aromatic clamp: PHE149, PHE253, PHE291, TRP177, TRP215, TYR129

Structure, superposed on IsPETase

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

Sequence

MKLKMYHMNVLSIAAVLAVGLLCGCNANTERVVDADSEVQKAASSSVAVQSEISISAESISEENTTESDPDSVPAEPETESQQEPSLPQSSESPASFNACSINTTQMGNLSYWLYIPSNPTEDMPLIVYLHGGSEKGDDLELVTAADGFPQYLQNGELGDVRSYVIIPQLPSSEKSWESISDAICELIDTTAETYAIDRNNISLTGHSMGGTGVWHLACMYPTLFARIAPLSGSIRCTPETLSKLKNAHIWAFVGSADSIVAPEASEKIVAALKNAGSDAEITVFDEADHFSVPRLAYLDANVGLMNWLIGN