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-e287d88885a7

Human gut 281 aa · assembly ERZ4560895_FASTA_predicted_cds · contig ERZ4560895.1634-Hadza-MoBio-hadza-A-D-J-9-1548--NODE-1634-length-20649-cov-13.311102_13

Retrieval

E-value2.80e-07
Bitscore17.6
Identity to nearest0.244
Nearest characterisedHGMP02

Structure

Methodesmfold
Mean pLDDT88.7
RMSD to IsPETase15.49 Å
Aligned fraction0.211

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

Active site

TriadS168/D225/H258
Ser–His3.09 Å
His–Asp2.96 Å
Cleft width20.46 Å
Cleft depth3.61 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

MKKWMKAVLIGAGVFAVAAGIAAILCIAHYIGFPEPAGPKKTGYRTEKLCVEYNGISLYGKALIPDGDGPFPTVIYAHGAESDYKADMTTLKSLAMSGIACYTFDFYGWTSRSTGPQGVHWFHDVPRGVDDSYEKKVLQQVEDMNAVIETVKGWDFVDTSRLYLIGSSMGGATVATAAVTHSDDIRGIVLEYPAINLNPDAMVSGAPLDANGYTGSVLILQGTKDVIVSMEMSKNLTAYYNTLRDDHAELVIYEGQPHVFTGKYKVLAAKEIYRFLEGNAS