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-322ac7fe6068

Marine plastisphere 281 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.30028-NODE-30029-length-1270-cov-1.853498_2

Retrieval

E-value6.30e-08
Bitscore19.7
Identity to nearest0.280
Nearest characterisedEC:D1A646

Structure

Methodesmfold
Mean pLDDT96.2
RMSD to IsPETase16.13 Å
Aligned fraction0.215

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

Active site

TriadS157/D220/H249
Ser–His2.92 Å
His–Asp3.08 Å
Cleft width23.51 Å
Cleft depth2.82 Å

Aromatic clamp: PHE181, PHE185, PHE199, PHE225, PHE40, PHE84, TYR112, TYR114, TYR117, TYR130, TYR165

Structure, superposed on IsPETase

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

Sequence

MGKQTKYSWSKAGWRLLRSVLFIYGPVALYLFFFADRMIFLPPAPSYEHSPQEDSTAITLTSADDNQLAARYLHNPNSRYTILFSHGNATDMGGVMPILLSLKDQGFSVMTYDYPGYGHSTGNPTEQNSYLAIEAAYDYLTTELELSPDSIIVQGQSVGGGPSTYLAASKPVAGLVLESSFATAFQVVVPFRIMPFEKFPNIRHIDDIDCPLLLLHGTNDTIIPFSHSEELLAAADSPKQLVPIEGADHNDILWVGEETYLQSIQTFANNLPNVAADEKPL