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-22337b7d2be9

Compost 176 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.219387-NODE-219389-length-556-cov-1.025948_1

Retrieval

E-value2.80e-08
Bitscore20.8
Identity to nearest0.417
Nearest characterisedEC:A0ABW2CTX2

Structure

Methodesmfold
Mean pLDDT80.7
RMSD to IsPETase17.88 Å
Aligned fraction0.128

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

Active site

TriadSNone/DNone/HNone
Ser–HisNone Å
His–AspNone Å
Cleft widthNone Å
Cleft depthNone Å

Aromatic clamp:

Structure, superposed on IsPETase

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

Sequence

PFVGKVDATKIAASGHSKGGKLAFYAAALDPRIDLVIGWDPVNAGGPPCFVDPAGCHRLPVAPNCAVMDSGITHYIRAETLVIGAPPDASWNPEPSHNAEHFYRGAPSPAAYVKLDAGHVDWVSGLSAKPDVVRITKSVQLALLLTRFRGVSGLEADLPGGASLAGEALVADVRMK