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-63cbd705ab41

Compost 366 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.21639-NODE-21641-length-1511-cov-3.325549_1

Retrieval

E-value2.60e-11
Bitscore30.8
Identity to nearest0.260
Nearest characterisedEC:A0A6P2BTG6

Structure

Methodesmfold
Mean pLDDT73.3
RMSD to IsPETase19.52 Å
Aligned fraction0.230

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

Active site

TriadS265/D318/H348
Ser–His3.09 Å
His–Asp3.24 Å
Cleft width20.54 Å
Cleft depth1.99 Å

Aromatic clamp: PHE182, PHE208, PHE26, PHE272, PHE296, PHE297, PHE313, PHE320, PHE351, TYR178, TYR323

Structure, superposed on IsPETase

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

Sequence

MRWCGSEAWRVGSSSALAFGALALGFAALLGAGCEGGEGTAAELPPVNSTPDAGLAPGAGTTGGGVAGGSGNAALDAAADDGAVQTDAGPEFRARKDLRCQVTGTVTSPKDYSKPGPYQVAKLEVTLQDTSRPIVATADHPAAPARVLVTRIYYPADVLPLFDFAPVSAGKPFPMLMYSHGFSSSRDESNKVGTHAASHGYIVVAPDFPLTNINANGGSPDVNDVASQPADVSFLIDQLLAYSNDSTHVLAGAVDAERIGALGVSLGGLTTFLLGYHAEWHDPRLRAIAPIAGPAFFFTERFYDTRDLPLLMFHGDLDAFIDYEVNARATLMRAAPSARLLTVHEGSHTGFGAPVDGALLGLVQPF