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-bffd49e5c909

Human gut 244 aa · assembly ERZ4560756_FASTA_predicted_cds · contig ERZ4560756.104813-Hadza-MoBio-hadza-E-H-G-1-1731--NODE-104813-length-1267-cov-3.715126_1

Retrieval

E-value6.10e-10
Bitscore26.3
Identity to nearest0.231
Nearest characterisedPLC:A0A1H1SER0

Structure

Methodesmfold
Mean pLDDT91.6
RMSD to IsPETase14.44 Å
Aligned fraction0.204

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

Active site

TriadS140/D190/H222
Ser–His2.87 Å
His–Asp3.25 Å
Cleft width17.34 Å
Cleft depth4.58 Å

Aromatic clamp: PHE223, TRP111, TRP147, TYR229, TYR64

Structure, superposed on IsPETase

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

Sequence

MELTRRGFLSLTVASAFCLLCAGCGDAAAVSPAGTLTAHVGDTGLSYWLYTPQSTGTPKPLVLYLHGGSGKGSDLNAVLEAESLPRFLQEGQLAPDAYVVMPQLPASCKGWSDCTAQLMQLLAVIKAQYPIARTALTGHSMGGTGCWDLAVAYPETFCAAAPLSGSIRPTEQNLTALQSLPVWAVVGSADTIVKPDASEQFIAALKEKNPNAQLTVREGATHFDVPQAYLDDTLGLLDWLTAAR