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 health problem

PANTS-73b6da61d224

Human gut 179 aa · assembly ERZ4560928_FASTA_predicted_cds · contig ERZ4560928.55391-Hadza-MoBio-C-REDO-E-3-1554--NODE-55391-length-867-cov-1.621519_2

Retrieval

E-value8.10e-06
Bitscore12.8
Identity to nearest0.274
Nearest characterisedEC:A0A4R5FXI3

Structure

Methodesmfold
Mean pLDDT92.5
RMSD to IsPETase15.02 Å
Aligned fraction0.151

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

Active site

TriadS51/D122/H151
Ser–His3.34 Å
His–Asp3.42 Å
Cleft width24.47 Å
Cleft depth3.6 Å

Aromatic clamp: PHE11, PHE155, PHE48, PHE6, PHE78, TRP127, TYR100, TYR8, TYR81

Structure, superposed on IsPETase

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

Sequence

FNVFMFDYRGFGKSKGTPSQAGLLDDTQSAINVVRHRSDVNPQRLVLFGQSIGGANILAVIGQGDREGIRAVILDSTFASYATIANQMIPGSGYLLDESYSGENYIASVSPIPLLLIHGKADHVIPWQHSEKLYSLAKEPKRLILIPDGEHIDAFSDRHGDVYREQMVDFILSALNPQN