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-5ee40d6243c4

Compost 304 aa · assembly ERZ794970_FASTA_CDS_annotated · contig ERZ794970.110-NODE-110-length-64617-cov-19.702844_7

Retrieval

E-value1.90e-140
Bitscore454.7
Identity to nearest1.000
Nearest characterisedCut190

Structure

Methodesmfold
Mean pLDDT93.1
RMSD to IsPETase1.35 Å
Aligned fraction0.434

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

Active site

TriadS176/D222/H254
Ser–His3.07 Å
His–Asp2.93 Å
Cleft width16.99 Å
Cleft depth4.43 Å

Aromatic clamp: PHE106, PHE234, PHE255, TRP201

Structure, superposed on IsPETase

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

Sequence

MRIRRQAGTGARASMARAIGVMTTALAVLVGAVGGVAGAEVSTAQDNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRETDEGTFGAVAVAPGFTASQGSMSWYGERVASQGFIVFTIDTNTRLDQPGQRGRQLLAALDYLVERSDRKVRERLDPNRLAVMGHSMGGGGSLEATVMRPSLKASIPLTPWNLDKTWGQVQVPTFIIGAELDTIASVRTHAKPFYESLPSSLPKAYMELDGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTDRAIEEYRSTCPY