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-afb5bb5f7ca0

Marine plastisphere 236 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.63703-NODE-63712-length-934-cov-1.172924_1

Retrieval

E-value1.80e-10
Bitscore28.0
Identity to nearest0.315
Nearest characterisedEC:A0ABV3GLG2

Structure

Methodesmfold
Mean pLDDT91.0
RMSD to IsPETase12.20 Å
Aligned fraction0.219

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

Active site

TriadS105/D179/H211
Ser–His2.98 Å
His–Asp3.05 Å
Cleft width21.96 Å
Cleft depth3.4 Å

Aromatic clamp: PHE102, PHE112, PHE158, PHE210, TRP104, TRP214, TRP29, TRP39, TRP73, TYR106, TYR109, TYR55

Structure, superposed on IsPETase

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

Sequence

DGYDIPALVTIPRGEGPFPGIVVPHGGPWVRDFYGYDEWAQMLANRGYVVVQPNYRGSEGHGLAHWRAGDREWGQVMQNDIEDSLLHLVNEGLVDEDKLAIFGWSYGGYAAFVGATRENSPFNCSVAGAGISDIGPMRGSIGDSRFLRKYQEPTVAGFSPIDRAKQVKMPMLVVHGEDDNTVPVDQSRIFVRDLKRINADYEYIEIKDMFHSPWRYEHNMAWFPEVLDFFDTKCGF