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-4cd4b8146925

Compost 314 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.92-NODE-92-length-42006-cov-21.227027_10

Retrieval

E-value6.70e-07
Bitscore16.3
Identity to nearest0.359
Nearest characterisedEC:A0ABY4L3P7

Structure

Methodesmfold
Mean pLDDT88.9
RMSD to IsPETase18.79 Å
Aligned fraction0.245

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

Active site

TriadS183/D232/H260
Ser–His3.02 Å
His–Asp2.9 Å
Cleft width19.07 Å
Cleft depth2.91 Å

Aromatic clamp: PHE102, PHE233, PHE235, PHE272, TRP87, TYR265

Structure, superposed on IsPETase

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

Sequence

MKSFRVLAAAGLSMFCTFSGLAVAQLPPGITTEMINMEVPQEGAPHGKAGPYAVTNELAFGNEGLRVFRPANLDSFPKKDKLPVVIWGNGGCAINVGRHAGFVETVASHGFLVITTNGPTPPPPAAGAPAATQPGGAAPPRPRNATAADQKSGIDWAEAENVREGSPLKGKIDLAHVALAGQSCGGRLAVELGGDPRVKTVLVLSSGVTGDQLSLVDKLHGPALILNGHERDFMFDTSKGTYDAISKVPAFYGARHGGGHSTTIYHPGGGQFANIATDWLMWQFKGSKTARKTFVGRKCGLCTDPNWDVASKRL