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-6029d3e53ec5

Human gut 111 aa · assembly ERZ652613_FASTA_predicted_cds · contig ERZ652613.1040-NODE-1040-length-1986-cov-2.99586_1

Retrieval

E-value6.80e-11
Bitscore29.4
Identity to nearest0.333
Nearest characterisedEC:A0ABT4UC71

Structure

Methodesmfold
Mean pLDDT92.9
RMSD to IsPETase3.20 Å
Aligned fraction0.102

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

Active site

TriadS9/D57/H89
Ser–His3.21 Å
His–Asp3.27 Å
Cleft width15.64 Å
Cleft depth7.16 Å

Aromatic clamp: PHE16, PHE52, PHE96, TRP92

Structure, superposed on IsPETase

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

Sequence

DRIYVMGLSMGGMGTFDMAVRYPEIFAAAIPICGTVNPARLKAGKSVKFRIFHGDADNVVTPEGSRAAYRALKAIGADVEYIEFPGCNHGSWNPAFNYPGFMEWLFNQKKK