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-e7a5b1da49db

Human gut 257 aa · assembly ERZ652613_FASTA_predicted_cds · contig ERZ652613.1-NODE-1-length-243892-cov-24.7139_32

Retrieval

E-value6.90e-11
Bitscore29.4
Identity to nearest0.333
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT91.1
RMSD to IsPETase11.93 Å
Aligned fraction0.177

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

Active site

TriadS155/D203/H235
Ser–His2.91 Å
His–Asp3.06 Å
Cleft width20.54 Å
Cleft depth3.42 Å

Aromatic clamp: PHE113, PHE198, PHE230, PHE242, PHE58, TRP104, TRP238, TYR103, TYR106, TYR162

Structure, superposed on IsPETase

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

Sequence

MKQFVLFFISLFLLGVGARSQEMYQKKVFISSRGDSLNYRLLRPEVEKTGLQYPLVLFLHGAGERGSDNEKQLTHGGQMFLNPVNREKYPAFVLVPQCPEKDYWAYTSRPSSFIPSEMPVGQEITPVLRAVKELLDTYLDLPQVDRNRIYVVGLSMGGMATYDLAVRFPDTFAAAVPICGTVNPVRLADAANVRFRIFHGDADNVVPVEGSREAYKALKNLGAEVEYIEFPGCNHGSWNPAFNYPGFMEWIFAQRKR