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 health problem

PANTS-f3de269e5718

Human gut 281 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.6719-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-6719-length-14722-cov-14.060772_3

Retrieval

E-value2.70e-07
Bitscore17.6
Identity to nearest0.253
Nearest characterisedHGMP02

Structure

Methodesmfold
Mean pLDDT88.3
RMSD to IsPETase16.25 Å
Aligned fraction0.219

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

Active site

TriadS168/D225/H258
Ser–His3.07 Å
His–Asp2.95 Å
Cleft width20.57 Å
Cleft depth3.8 Å

Aromatic clamp: PHE104, PHE106, PHE122, PHE260, TRP109, TRP121, TYR133, TYR192, TYR76, TYR84

Structure, superposed on IsPETase

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

Sequence

MKKWMKAVLIGAGVFAVAAGIAAILCIAHYVGFPEPAGPKKTGYRTEKLCVEYNGISLYGKALIPDGDGPFPTVIYAHGAESDYKADMTTLKSLAMSGIACYTFDFYGWTSRSTGPQGVHWFHDVPRGVDDSYEKKVLQQVEDLNAVIEAVKGWDFVDTSRLYLVGSSMGGATVATAAVTHSDDIRGIVLEYPAINLNPDAMVNGAPLDANGYTGSVLILQGTKDVIVSMEMSKKLTAHYNTLRDDHAELVIYEGQPHVFTGKYKVLAAKEIYRFLEENAS