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-bc2e995b8367

Human gut 413 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.53669-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-53669-length-4338-cov-3.413049_4

Retrieval

E-value7.20e-11
Bitscore29.4
Identity to nearest0.252
Nearest characterisedEC:A0A3D9SPQ3

Structure

Methodesmfold
Mean pLDDT91.7
RMSD to IsPETase25.47 Å
Aligned fraction0.242

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

Active site

TriadS310/D360/H392
Ser–His2.85 Å
His–Asp3.16 Å
Cleft width16.33 Å
Cleft depth4.38 Å

Aromatic clamp: PHE251, PHE355, TRP279, TRP317, TRP400, TYR231

Structure, superposed on IsPETase

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

Sequence

MKIKFSHLLLASSLLVSSLNVSAAAASFTDVEPSAWYYDAVENVTENGWLNGTGGSCFTPDGDLTRAMLATILWRIEGSPAPNGSADFIDTDSAGWYADGLAWSVENGLFNGYPDGSFRPADAITREQLAAVFYRTAEDKTGIGVGAIRTINGCSWASEACAWANTQGLFPYALGTLDLCAPASRAEIAYWLNAYYPQETQSTLTEGQYSSMGYLLYTPANAQADMPLIVYLHGGHGKGSDLSILTTTDGFPQYLADGTLGEIPAYVLIPQLPADQNGWKAADDTVMSLIDKICTENKIDRSRISLTGHSMGGTGTWDIALLHPEVFSRIAPMSGSIQRTAETLAALSDMPIWTFVGDADRVVKPESTEQFIAALQEQNANAKLTVFADTDHVGVLQTAWLEDGAALIDWLIQ