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-9d0e7f5a9e7b

Human gut 353 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.4789-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-4789-length-20995-cov-17.457166_16

Retrieval

E-value7.70e-11
Bitscore29.3
Identity to nearest0.355
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT82.6
RMSD to IsPETase25.59 Å
Aligned fraction0.230

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

Active site

TriadS250/D300/H332
Ser–His2.96 Å
His–Asp3.09 Å
Cleft width22.35 Å
Cleft depth3.34 Å

Aromatic clamp: PHE191, PHE295, PHE333, TRP219, TRP257, TRP33, TYR171, TYR216, TYR36

Structure, superposed on IsPETase

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

Sequence

MNRFFLFLCISMLLLSGCSSKDRLDSSGAEPVWPDYAIVTEAPPPLPTAPEDPSLPVFSSPTEDREPDPIEPKSTEPEAAEPRSAAPEPTEPRSTKPEPTEAASPDTHTALTPRAVPAAPRSIPEETAEATQPVQTSGLRETTFTLSDGSSRKCLFYTPGSDCSGLGLIVYLHGGSGKGEDLSLITQADGFPSYLQSGQLGSPNACVLIPQLPATYRGWSDMDGVLMQLISAAVREYDLDSANVSLTGHSMGGTGVWAIAAAHPGTFARIAPLSGSIRKTDENLEALKWVSVYAFVGDADTIVPPESSEEFISALQDQGSNARIEILEGADHFAVPGLAYLGGYGLVDWLIGN