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-967c9f9e25ad

Human gut 123 aa · assembly ERZ4560895_FASTA_predicted_cds · contig ERZ4560895.92267-Hadza-MoBio-hadza-A-D-J-9-1548--NODE-92267-length-549-cov-1.262712_1

Retrieval

E-value9.70e-11
Bitscore28.9
Identity to nearest0.319
Nearest characterisedEC:A0ABW1CC56

Structure

Methodesmfold
Mean pLDDT91.8
RMSD to IsPETase17.15 Å
Aligned fraction0.106

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

Active site

TriadS19/D69/H101
Ser–His3.04 Å
His–Asp3.27 Å
Cleft width18.34 Å
Cleft depth6.98 Å

Aromatic clamp: PHE102, PHE64, TRP26

Structure, superposed on IsPETase

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

Sequence

HTVSTYKINRNNISLTGHSMGGTGTWNLACTYPSLFARIAPLSGSIRNTPDIIDNLKNIPVRAFVGSADTIVPPDSSKEVIAALKAAGGSAEITVFDGADHFSVPSLTFLDTNIDLIGWLIGG