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-a39aaabaf1f1

Human gut 264 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.243021-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-243021-length-1024-cov-2.978881_2

Retrieval

E-value1.90e-12
Bitscore34.5
Identity to nearest0.294
Nearest characterisedEC:A0A841DCU0

Structure

Methodesmfold
Mean pLDDT90.8
RMSD to IsPETase14.87 Å
Aligned fraction0.196

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

Active site

TriadS122/D209/H243
Ser–His3.15 Å
His–Asp3.07 Å
Cleft width22.92 Å
Cleft depth2.8 Å

Aromatic clamp: PHE181, PHE183, PHE246, PHE75, TYR126, TYR220, TYR58, TYR74, TYR91

Structure, superposed on IsPETase

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

Sequence

ASFARTTAAEPLSALPQGCEPLSFSEKENRLQGYLFRQTKAHALVVIAPGLAATLQEYLPLIRALCGAGFSVFYFDPLGSGRSDGDSALSYAAITADLSAALSFVRAQRLFEADRLFLLGHSRGGYAACLCADDSAPPDAVIAVDAHNCPTAAACSRAVPYVGALAYLNFPMLWFYGGLCFDFPATAAHADAALQNARVPVLLIQAQNDAVASPRHDTVYAKRNHIKNAQIRIYLDESADGSHISFLQPQSPSFAQILSFFGAL