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-7df6fe0a840b

Human gut 218 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.236121-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-236121-length-1053-cov-4.092213_1

Retrieval

E-value2.70e-12
Bitscore34.0
Identity to nearest0.344
Nearest characterisedEC:A0A2P4UDP6

Structure

Methodesmfold
Mean pLDDT89.2
RMSD to IsPETase9.82 Å
Aligned fraction0.170

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

Active site

TriadS115/D165/H197
Ser–His2.9 Å
His–Asp3.23 Å
Cleft width17.44 Å
Cleft depth4.54 Å

Aromatic clamp: PHE160, PHE56, TRP122, TRP84, TYR36

Structure, superposed on IsPETase

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

Sequence

PSEASPSALTENSFDSMGYLLYTPASTRPDMPLIVYLHGGHGKGDDLSVLINTDGFPQYLADGLLGEIPAYVLIPQLPADQRGWKPAAETLIQLIEQVCEKNSIDRSRISLTGHSMGGTGTWDLALMYPDIFSRIAPMSGSVDTTPETLAVLANTPVWAFVGEDDVVVKPESSEQFVAALERQNEDAQITIFPDTDHVGVPQKAWLEHGGELLNWLLG