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-db4c1ccd7e1e

Landfill 294 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.47787-NODE-47787-length-1509-cov-1.442228_2

Retrieval

E-value1.60e-10
Bitscore28.2
Identity to nearest0.375
Nearest characterisedEC:A0A9X2K0A4

Structure

Methodesmfold
Mean pLDDT89.1
RMSD to IsPETase5.67 Å
Aligned fraction0.158

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

Active site

TriadS55/D106/H137
Ser–His3.03 Å
His–Asp3.27 Å
Cleft width23.92 Å
Cleft depth2.82 Å

Aromatic clamp: PHE101, PHE111, PHE139, PHE140, PHE145, PHE19, PHE78, TYR143

Structure, superposed on IsPETase

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

Sequence

GVIILMPDTETGIPDHEEFAKDLAFLCSSFYDYSLDSENDFYNSVRNDYFIMGHSMGAGASHLASSYDYINPLAVITFAAAETDPSAAEAVTEFTGKVVMFIGENDLVTPFEEHQEPIYNNSASICKTLISIDGGVHCFFNDYSFTCDIGENNVGSDAQITREEQQQVVLDFVSLLVKSEMYNDDIAYNNYLDSLENSNRITVTRDCSLSAINKFITKNSMPLVIYPNPAKDIIFINYQDIIEITYLEIYNIHGSLIHKINLTNNSINTQNLKTGEYLLYFPEINYSETFYLIK