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-b8e6fd527452

Human gut 130 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.416049-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-416049-length-542-cov-6.122581_1

Retrieval

E-value1.20e-12
Bitscore35.2
Identity to nearest0.280
Nearest characterisedEC:A0A919UR82

Structure

Methodesmfold
Mean pLDDT89.2
RMSD to IsPETase10.51 Å
Aligned fraction0.143

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

Active site

TriadS27/D77/H109
Ser–His3.13 Å
His–Asp3.24 Å
Cleft width11.09 Å
Cleft depth7.01 Å

Aromatic clamp: PHE72, TRP34

Structure, superposed on IsPETase

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

Sequence

ETVMRLIDKVCEENRIDRSRVSLTGHSMGGTGTWDLALAYPDVFSRIAPMSGSVDTTASTLASLQNTPVWAFVGEDDVVVKPESSEQFVAALERQNEDTRITVFPETDHVGVPQKAWLEHGAELLNWLLA