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-7d932e776b16

Marine plastisphere 404 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.3128-NODE-3128-length-5226-cov-4.040998_3

Retrieval

E-value6.80e-12
Bitscore32.7
Identity to nearest0.251
Nearest characterisedEC:A0A2P4UNN9

Structure

Methodesmfold
Mean pLDDT87.8
RMSD to IsPETase19.29 Å
Aligned fraction0.196

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

Active site

TriadS108/D199/H228
Ser–His3.13 Å
His–Asp3.04 Å
Cleft width18.07 Å
Cleft depth2.53 Å

Aromatic clamp: PHE143, PHE165, PHE171, PHE33, PHE37, PHE63, PHE65, PHE80

Structure, superposed on IsPETase

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

Sequence

MARETVSFRNADGIDLAGIVDRPDGPITAWVLFAHCFTCSKTTLAASRLAEGLSERGYGVLRFDFTGLGQSGGDFADTGFTTNVEDLKTAAAWMAEQGMPPQLLIGHSLGGAAAVVAAAELPEIRAVATLGAPADAEHVIHQFDQKVPEIEAKGAAQVDIAGRPFVVGKVFLDSVRGAKVREAAASLRRPLLVMHSPRDEIVSIDNATGLFLAAKHPKSFVSLDPAGHMLNKRPDTDYVADVIAGWSRRYLDNDEPDAAPAPSDVVRVSETGEAGPYQNSVQIDGRTFLADEPKSVGGADTGPNPYQWVTAGLGACTSMTLRMYANRKNWPLEKVTVDLTHSRQHHVDCETCGPNDKIDVFSREIKIEGPLDDEQRQRLLEIADRCPVHRTLESQAVVETVLVT