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-4f1aac883de2

Human gut 220 aa · assembly ERZ4226326_FASTA_predicted_cds · contig ERZ4226326.38951-NODE-38951-length-660-cov-2.193388_1

Retrieval

E-value2.30e-12
Bitscore34.3
Identity to nearest0.329
Nearest characterisedEC:A0ABT4UC71

Structure

Methodesmfold
Mean pLDDT88.0
RMSD to IsPETase15.03 Å
Aligned fraction0.174

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

Active site

TriadS132/D180/H212
Ser–His3.01 Å
His–Asp3.16 Å
Cleft width19.72 Å
Cleft depth3.62 Å

Aromatic clamp: PHE139, PHE175, PHE219, PHE35, PHE90, TRP215, TRP81, TYR80, TYR83

Structure, superposed on IsPETase

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

Sequence

SAYKEDYRKPLDTLLYRLLRPEVMKPDEKYPLVLFLHGAGERGNDNEKQLVHGGQMWLNPVNREKYPAFILAPQCPETGYWAYTERPSSFAPADMPLEVPVSPIFRTLKELLDFYLAMPQIDKDRIYVMGLSMGGMGTFDMAVRYPEIFAAAIPICGTVNPARLKAGKSVKFRIFHGDADNVVTPEGSRAAYRALKAIGADVEYIEFPGCNHGSWNPAFN