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-e9dd4211ae00

Landfill 277 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.4191-NODE-4191-length-6258-cov-3.662744_5

Retrieval

E-value4.90e-08
Bitscore20.1
Identity to nearest0.256
Nearest characterisedEC:A0A7W3LQW1

Structure

Methodesmfold
Mean pLDDT96.7
RMSD to IsPETase23.80 Å
Aligned fraction0.219

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

Active site

TriadS156/D225/H254
Ser–His3.23 Å
His–Asp2.93 Å
Cleft width25.84 Å
Cleft depth2.55 Å

Aromatic clamp: PHE111, PHE116, PHE153, PHE180, PHE204, PHE230, PHE36, PHE83, TYR113, TYR129, TYR258, TYR37, TYR39, TYR42

Structure, superposed on IsPETase

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

Sequence

MIRGLRHLLAITLYVSVFLGLFLAVCLIFYEKMESFYLYHPYSSLDRYPERGIYRDVHFRTGDGETLHGWFFPGRAQSPVLLFCHGNAGNISHRLDNIERLLRAGLGVFIFDYRGFGKSTGKPSERGLYLDGLAAFDWLTGEGGVSPEKVVLFGRSLGASVALETALSRKARAVVIESPFTSTRAMAATMFPFMLIAPLLPENFDNRSKISALEKPVMVVHGEQDEIVPFSMGEELYRLAPEPKRFYPIPGAGHNDTYFVGGKIYFDKLSAFAFEPG