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-d67014b88662

Human gut 336 aa · assembly ERZ24772237_FASTA_predicted_cds · contig ERZ24772237.31702-NODE-31708-length-1008-cov-4.206716_1

Retrieval

E-value2.50e-08
Bitscore21.0
Identity to nearest0.274
Nearest characterisedEC:A0ABU2KYZ7

Structure

Methodesmfold
Mean pLDDT61.6
RMSD to IsPETase21.32 Å
Aligned fraction0.204

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

Active site

TriadS57/D113/H145
Ser–His2.89 Å
His–Asp2.89 Å
Cleft width25.99 Å
Cleft depth3.68 Å

Aromatic clamp: PHE151, TRP108, TRP62, TRP89, TYR111, TYR115, TYR16, TYR22, TYR283, TYR64

Structure, superposed on IsPETase

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

Sequence

FQAEHPCYVLNITVPYEACVNYEAELAYIYQFGEIIRTIAESYGNVDMDRIYATGHSQGAGWSYELASVQPELLAAILINAGTTVHTTWGNQCDMQAIADSGVNVYIWHGYEDPYIPVNEAYRAFNTLTSLGMTNLVLEIQQGGHCKSDMFSDSVPTSYMEWLFDQVKGVPCTASPTVTTEGTPADYDWAGVQVLSSVEGWAEANPYSSWTEPADNATWDQVMAGANALVQGEGGTGKTWLSKVRIGDETATSYDDATQDTPVVTIQAGDSVAVTVQGYTGGYGDDWDAFDQEWDVEWAVLEGSVTDIQLTHEASETPLLRPATVSLANGGGPNVN