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-fb15adb0c776

Human gut 159 aa · assembly ERZ4239668_FASTA_predicted_cds · contig ERZ4239668.8231-NODE-8231-length-1038-cov-1.613428_2

Retrieval

E-value1.40e-11
Bitscore31.6
Identity to nearest0.301
Nearest characterisedEC:A0ABV5TJR7

Structure

Methodesmfold
Mean pLDDT80.3
RMSD to IsPETase14.44 Å
Aligned fraction0.219

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

Active site

TriadS57/D106/H138
Ser–His3.19 Å
His–Asp3.1 Å
Cleft width20.35 Å
Cleft depth5.11 Å

Aromatic clamp: PHE113, PHE145, PHE19, PHE64, TRP141, TRP4, TYR101, TYR7

Structure, superposed on IsPETase

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

Sequence

EKTWSEYKGLNAGKEGKRFYPLNAPATQSMAAVKELLDSYIAEGKVDTKRIYVTGLSMGGMGTFDIVMRYPNLFAAATPICGGANLQRLANFKGKTAFSIYHGGSDSVVDVQFSRDANEALKKAGADVRYKEFPGVDHNSWDNAFAEPDYLAWMFQHSL