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-69ab4a1f0f3a

Marine plastisphere 282 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.3566-NODE-3566-length-3876-cov-6.647998_3

Retrieval

E-value8.80e-08
Bitscore19.2
Identity to nearest0.253
Nearest characterisedEC:A0A243RTG5

Structure

Methodesmfold
Mean pLDDT97.7
RMSD to IsPETase15.34 Å
Aligned fraction0.177

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

Active site

TriadS156/D228/H258
Ser–His3.21 Å
His–Asp3.31 Å
Cleft width17.48 Å
Cleft depth2.58 Å

Aromatic clamp: PHE181, PHE207, PHE36, PHE37, TYR112, TYR115, TYR129, TYR153, TYR82

Structure, superposed on IsPETase

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

Sequence

MLLRFVRVLLRVGTVLLLAYALICLALWRYQPRLMFFPAAELRGSPADLGLAYEEVWLPAGDGKVHGWWMPAADTAAPAVLYLHGNGSNIGDLAERALLLHRLGCSVLLIDYRGYGLSSGPFPNEQRVYEDAKAAWQYLRQVQQVPGERLILYGRSIGGAIAIQLASEHPEAAGLVVEATFTSMRAMVQQDSQWLWLPVDRLLTQRFESLEKVRSLQMPLLLMHGTADRVVPAEMSQALYDAAATEDKTLLWVEGADHNNLPLVAGDRYSQAVGAFIERYAR