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-f2fc610e03d4

Human gut 233 aa · assembly ERZ652586_FASTA_predicted_cds · contig ERZ652586.768-NODE-768-length-10796-cov-7.007914_5

Retrieval

E-value5.00e-11
Bitscore29.9
Identity to nearest0.330
Nearest characterisedEC:A0ABV9U430

Structure

Methodesmfold
Mean pLDDT94.2
RMSD to IsPETase9.42 Å
Aligned fraction0.200

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

Active site

TriadS129/D177/H209
Ser–His2.95 Å
His–Asp2.96 Å
Cleft width18.2 Å
Cleft depth4.38 Å

Aromatic clamp: TRP136, TRP207, TRP97, TYR217, TYR50

Structure, superposed on IsPETase

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

Sequence

MSIWASATPCRYTDSDFGFNVWSYNNITLPYRETVITAGGTQQKPILVIYLHGGLKRGSDNVRQMNEDAIYTIADYLCRNRINAFMIVPQCPDSLTWGVQTNEIIKNLVDEYMNKGKVDPDRIYLMGGSMGGTGVWKMASAYPYLFAAVMPVAGNPDTVDAALLANTPVYTVMGTGDNLMDIAPVTSFMERLKELNREAILDVENGWSHIKTCTESYTDKRLNWIFNHIRSSE