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 health problem

PANTS-afdfc2296b42

Human gut 157 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.135351-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-135351-length-1286-cov-2.991729_2

Retrieval

E-value1.20e-06
Bitscore15.5
Identity to nearest0.319
Nearest characterisedEC:A0A919R7S7

Structure

Methodesmfold
Mean pLDDT83.6
RMSD to IsPETase22.31 Å
Aligned fraction0.125

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

Active site

TriadS12/D60/H93
Ser–His3.28 Å
His–Asp3.17 Å
Cleft width15.18 Å
Cleft depth7.12 Å

Aromatic clamp: PHE16, PHE55, TRP19, TRP96, TYR100

Structure, superposed on IsPETase

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

Sequence

IDEDRVYAVGTSMGGFGVWDLLTRHGKLFAAGIPVCGGCDVTHAASLAQIPVWAFHGSEDTAVSPDGDRLMYACIRKNGGLLARYTEFTGCDHAIWDLVYSDREVFEWLFAQSRHDRRVAWEKAARNRKKAIAAGGGIGALLLAGAAIWLGSKKRRK