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-3fbe2d3b631d

Compost 318 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.9921-NODE-9922-length-2241-cov-2.568161_2

Retrieval

E-value2.60e-107
Bitscore346.0
Identity to nearest0.702
Nearest characterisedPLC:A0A1W6L438

Structure

Methodesmfold
Mean pLDDT92.8
RMSD to IsPETase6.93 Å
Aligned fraction0.566

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

Active site

TriadS191/D237/H268
Ser–His2.99 Å
His–Asp2.86 Å
Cleft width20.97 Å
Cleft depth4.16 Å

Aromatic clamp: PHE118, PHE232, PHE249, PHE269, TRP190, TRP216, TYR121

Structure, superposed on IsPETase

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

Sequence

MSALRPLLTMALPAHVRGVGWLRHTRPEHTHNRRRILTLTLKKLAQAVALALGLVATTAATAVEIGPYPTQSSLEASRGPFSVRDFRITITAGYGSGTVYYPTNVGEPVGVISIVPGFLSYQNSIDWWGPRLASHGFVVVTIDTLTTLDQPASRSRQQLRALDYVLEMGNDRRSPLYGLIDPSRTCVMGWSMGGGGSLISAEERPSIKAAAPQAPWNLTSNFSRLTVPTLIFGCQSDLIAPVAVHSIPFYNSMTRNPKQYLEKTLGNHFCVNDPNPTIGLKGVAWMKRFVDDDTRYTEFACSDPRARGFSDFRTARCE