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-7c38672ce65d

Marine plastisphere 197 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.101175-NODE-101186-length-741-cov-1.903790_1

Retrieval

E-value5.80e-09
Bitscore23.1
Identity to nearest0.254
Nearest characterisedEC:A0ABP6CMB2

Structure

Methodesmfold
Mean pLDDT90.1
RMSD to IsPETase16.08 Å
Aligned fraction0.174

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

Active site

TriadS88/D137/H170
Ser–His3.26 Å
His–Asp3.21 Å
Cleft width21.52 Å
Cleft depth3.72 Å

Aromatic clamp: PHE107, PHE119, PHE17, PHE171, PHE172, PHE43, PHE45, PHE87, PHE89, TRP92, TYR117, TYR27, TYR55

Structure, superposed on IsPETase

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

Sequence

KDRDAPIAIVLHPHPQFGGTMNNKVVYNLHYAFYNMGFTVLRFNFRGVGRSQGEYDQGVGELSDAASALDYLQSMNNNSKHCWVAGFSFGAWIGMQLLMRRPEITGFISVSPPANMYDFSFLAPCPSSGLIINGTADRVAPPADTTALVNKLHEQKGITITHNEIEGSGHFFEEPHMDTMIGDVTDYVKRRLTENTR