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-d00ec8def7ec

Marine plastisphere 411 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.5163-NODE-5163-length-3833-cov-3.112758_4

Retrieval

E-value6.60e-12
Bitscore32.8
Identity to nearest0.282
Nearest characterisedPLC:A0A1I6NU60

Structure

Methodesmfold
Mean pLDDT89.7
RMSD to IsPETase23.80 Å
Aligned fraction0.230

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

Active site

TriadS108/D199/H228
Ser–His3.12 Å
His–Asp2.92 Å
Cleft width21.1 Å
Cleft depth2.18 Å

Aromatic clamp: PHE143, PHE165, PHE171, PHE33, PHE37, PHE63, PHE65, PHE75, PHE80, TYR134

Structure, superposed on IsPETase

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

Sequence

MPTQRLTFTGHAGDTLAARLDMPDGPVLATALFAHCFTCSKDIPAARRIAGRLSAMGIAVLRFDFTGLGHSKGEFANTSFTSNVDDLALAAAALAKAYAAPSLLIGHSLGGAAVLKARAAIPSVKAVVTLGAPYDPEHVTHNFADALPEILEKGEADVSLAGRPFRIGKQFVDDVSAAHLAPAIKNLQAALLILHAPRDATVSIDNASQIFLAAKHPKSFVTLDDADHLITRAQDAEYAADVIGAWVTRYVPLTPPAPPPGVPEGIVRVSEADADGFLQDIMGGPRHHAIADEPEAYGGTNQGMSPYGFVSAGLGACTSMTIRMYARRKGWPLTHVSVDVSHNKVHAQDAEPGTENRIDQFTRLIRLEGNLSAEQRDRLLEIADKCPVHRTLERSSKIATELAPISTPESV