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-0a6c3795452a

Landfill 292 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.125073-NODE-125073-length-879-cov-1.726942_1

Retrieval

E-value6.10e-17
Bitscore49.3
Identity to nearest0.298
Nearest characterisedEC:A0A919RR95

Structure

Methodesmfold
Mean pLDDT85.3
RMSD to IsPETase11.82 Å
Aligned fraction0.196

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

Active site

TriadS197/D241/H273
Ser–His3.01 Å
His–Asp3.0 Å
Cleft width25.22 Å
Cleft depth2.77 Å

Aromatic clamp: PHE102, PHE111, PHE198, PHE268, PHE274, PHE276, PHE286, TRP205, TYR201, TYR255, TYR280

Structure, superposed on IsPETase

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

Sequence

GEPGPYPVGVTTMQFSDPARSEILTGKARALLTEIWYPAAEETRGLPKNRLLDFILRGTNPSVGLLLKLAFDIDLDEMDKTFQNFAVRDARIRDGKYPLILFSHGNGGLRFQNAFLCEHLASHGYIVAAPDHTGNAAVTFVDGQPIRINEQGRDQAAKDRPLDIRFLMDEFTRLNQGADSRFLDRIDLDKIGVTGHSFGGYTSTWVADTDPRVKAIAPMAGVARERVNYDCPVLVLMATEDKTMGLDGNANIRRYYEESKGPRYFVEFKNAGHFSFTEMYQFKADFGDGVGA