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-5db5f1c43378

Marine plastisphere 280 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.31905-NODE-31906-length-1228-cov-1.654731_1

Retrieval

E-value1.80e-08
Bitscore21.5
Identity to nearest0.236
Nearest characterisedEC:A0A7W3LQW1

Structure

Methodesmfold
Mean pLDDT91.9
RMSD to IsPETase13.24 Å
Aligned fraction0.215

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

Active site

TriadS145/D221/H250
Ser–His3.05 Å
His–Asp3.15 Å
Cleft width21.2 Å
Cleft depth2.49 Å

Aromatic clamp: PHE174, PHE200, PHE215, PHE226, PHE5, TYR101, TYR104, TYR118, TYR142, TYR254, TYR69, TYR82

Structure, superposed on IsPETase

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

Sequence

RQLIFRPSSVAALLPSDPAFTLSFADVWIELEAGDRLHGWWLPAPGPQEAPAVAAEPANVLPPGQVLLYLPGVGRNMGDYNYLARMAGLRQLGFTVFAIDYRGYGRSHGDFPSESQVYAAARAAWNYLRQTRHIPPERIAIYGESLGGAIAIDLAADLADRQSNPSGLIVQSSFTSMVDATRSRWFLRPFPVKWLLHQRFDSRRKVTRVRCPTLFLHGTQDSVVPFALGEDLYRAAPDPKVFFAIPAADHVRIYDPEHSYLQAVADFTIAHIRPQSAETE