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-de7733a036af

Human gut 357 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.6757-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-6757-length-14652-cov-3.611252_6

Retrieval

E-value7.10e-16
Bitscore45.8
Identity to nearest0.314
Nearest characterisedPLC:A0A163MA58

Structure

Methodesmfold
Mean pLDDT86.6
RMSD to IsPETase22.10 Å
Aligned fraction0.264

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

Active site

TriadS202/D262/H293
Ser–His3.06 Å
His–Asp2.36 Å
Cleft width23.38 Å
Cleft depth2.19 Å

Aromatic clamp: PHE130, PHE209, PHE261, PHE60, TRP240, TRP57, TRP61, TYR141, TYR242, TYR298

Structure, superposed on IsPETase

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

Sequence

MWTLRKEMIVALAGVCLSYGTTTQAASIDIAAKPVSVQTSEQSLPTGKETASKQAAWEAFWQGLLNSRAVPDDYTKTVKTSGAIERTYLSDGPHKTARQSLQTQKPMEQYEIYYPVDLLEKKVACPVVIFLNGSGVPASRYPALFEHLASWGFIAIGNEDPSTGTGQSADTTVAKLLELNEDAHSRFFHQIDTARIGITGHSQGGAGVFNAITSQPHHALYRTAVALSPANERLSEALHWTYDLTKVQCPIFLLSGTKGDFELKLVLPPKDLQSMYAKISGPKVMARRKDTEHGQMLYEADGYVTAWLRWQLYGDKRAAKAFSGKNPEIRTNCLYRDVKIQGRTSHLRINTPSHSSK