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-75ddf350d4e7

Human gut 153 aa · assembly ERZ4226354_FASTA_predicted_cds · contig ERZ4226354.23240-NODE-23240-length-920-cov-2.153757_2

Retrieval

E-value2.10e-11
Bitscore31.1
Identity to nearest0.310
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT82.1
RMSD to IsPETase10.17 Å
Aligned fraction0.151

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

Active site

TriadS52/D100/H132
Ser–His3.08 Å
His–Asp3.03 Å
Cleft width24.06 Å
Cleft depth4.88 Å

Aromatic clamp: PHE11, PHE139, PHE95, TRP1, TRP135, TYR3, TYR59

Structure, superposed on IsPETase

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

Sequence

WAYTERPKSLFPADMPAGQEMSSLTRTLKQLLDTYLAMPEVDKKRIYIVGLSMGAMGTYDLVVRYPEIFAAAVPICGSVNPDRLPVAKEVKFRIFHGDADDVVTVEGSREAYKALKAAGAKVEYIEFPGCNHGSWNPAFNYPGFMEWLFKQKK