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-944f93870d58

Human gut 303 aa · assembly ERZ4560891_FASTA_predicted_cds · contig ERZ4560891.34237-Hadza-MoBio-C-REDO-D-10-1550--NODE-34237-length-968-cov-1.497194_1

Retrieval

E-value4.00e-09
Bitscore23.6
Identity to nearest0.272
Nearest characterisedEC:A0ABY3LNA1

Structure

Methodesmfold
Mean pLDDT87.1
RMSD to IsPETase24.62 Å
Aligned fraction0.196

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

Active site

TriadS199/D249/H281
Ser–His2.89 Å
His–Asp3.07 Å
Cleft width17.44 Å
Cleft depth2.43 Å

Aromatic clamp: PHE140, PHE244, PHE282, TRP168, TRP206, TYR120

Structure, superposed on IsPETase

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

Sequence

VLSIAAVLAVGLLCGCNANTERVVDADSEVQKAASSSVAVQSEISISAESISEENTTESDPDSVPAEPETESQQEPSLPQSSESPASFNACSINTTQMGNLSYWLYIPSNPTEDMPLIVYLHGGSEKGDDLGLVTAADGFPQYLQNGELGDVRSYVIIPQLPSSEKSWESISDAICELIDTTAETYAIDRNNISLTGHSMGGTGVWHLACMYPTLFARIAPLSGSIRCTPETLSKLKNAHIWAFVGSADSIVAPEASEKIVAALKNAGSDAEITVFDEADHFSVPRLAYLDANVGLMNWLIGN