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-5a8208b2421a

Human gut 202 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.57925-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-57925-length-2388-cov-1.884033_1

Retrieval

E-value2.50e-17
Bitscore50.5
Identity to nearest0.383
Nearest characterisedHGMP01

Structure

Methodesmfold
Mean pLDDT96.5
RMSD to IsPETase7.70 Å
Aligned fraction0.158

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

Active site

TriadS74/D120/H150
Ser–His3.13 Å
His–Asp3.24 Å
Cleft width22.5 Å
Cleft depth5.02 Å

Aromatic clamp: PHE113, PHE114, PHE151, PHE34, PHE7, PHE94, TRP128, TRP2, TYR124, TYR13, TYR160

Structure, superposed on IsPETase

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

Sequence

VWANGTFCPPAMYYDLLSQISEGGYIVVTNTDLFCGNGVSQSLSVDFIINESIDPDSIFYDKVDTEHIGSAGHSQGGKSAVNSALRDSRIACVFNIAGNTSLFESRALQVPTFFLAGSSDVLIYPTLWVRPAYNVCKAPAVYGNIANADHFLCCNSPSIYSEYAINWFDAFLKNDEEAKAVFRSGGKLFTDSRWKEVSSKNI