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-ba573459d404

Human gut 190 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.168258-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-168258-length-1477-cov-2.035000_2

Retrieval

E-value1.60e-10
Bitscore28.2
Identity to nearest0.383
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT88.3
RMSD to IsPETase14.27 Å
Aligned fraction0.177

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

Active site

TriadS41/D89/H123
Ser–His3.2 Å
His–Asp3.04 Å
Cleft width13.61 Å
Cleft depth5.17 Å

Aromatic clamp: PHE50, TRP12, TYR45

Structure, superposed on IsPETase

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

Sequence

LVIVPQNPGGAWNPAKINDVLEWTKHNYPCDSTRVYVMGMSLGGYGTMDFAGTYPDKVAAAMALCGGSTLKDKSGLGRLPFWIIHGTADRAVPVKHSQSVVKELKDSGNDTRLRYDWLAGASHGALARILYMKKTYEWLFSHSLTDPDRPVRRDISIDKADLTRAYNDMKKGLPNPEVIYDKTITGDEDD