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-90c9e4679f85

Landfill 165 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.283903-NODE-283903-length-574-cov-1.377649_1

Retrieval

E-value1.30e-09
Bitscore25.2
Identity to nearest0.493
Nearest characterisedEC:A0A7W3MTE8

Structure

Methodesmfold
Mean pLDDT89.7
RMSD to IsPETase8.24 Å
Aligned fraction0.143

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

Active site

TriadS23/D83/H110
Ser–His3.07 Å
His–Asp2.68 Å
Cleft width15.23 Å
Cleft depth5.26 Å

Aromatic clamp: PHE122, TYR114, TYR76, TYR86

Structure, superposed on IsPETase

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

Sequence

NIDKTSPFHKKIDTSKIAVSGMSCGGLQTLEIAPDPRITTAVVCNSGVLKNLPSGMPGMPNLPKEQLEKLHTPTLYLLGGESDIAYENGMDDYNRINHVPVFVGNMDVGHGGTYGQPHGGEFAKVATAWYKWQLKGDKKAGKLFTGNPCQLSKLDIWTVEKKNLP