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-8cdd90e84203

Human gut 286 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.284440-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-284440-length-878-cov-1.691635_1

Retrieval

E-value1.10e-06
Bitscore15.6
Identity to nearest0.235
Nearest characterisedEC:A0A7W3LQW1

Structure

Methodesmfold
Mean pLDDT91.1
RMSD to IsPETase18.09 Å
Aligned fraction0.196

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

Active site

TriadS150/D213/H242
Ser–His3.0 Å
His–Asp3.19 Å
Cleft width23.78 Å
Cleft depth3.06 Å

Aromatic clamp: PHE105, PHE192, PHE245, PHE35, PHE37, TRP169, TYR107, TYR110, TYR123, TYR149, TYR174, TYR218, TYR77

Structure, superposed on IsPETase

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

Sequence

MQAWINRLFRKRDLFVLIVGLAIMQGLACLLINRFMFHPVKGGYDKTLDGYVDIGTNGVPIAARVIGVPQRHKVIMYCHGNAEDMTSIDGRFNGLIGKGFAIATFDYPGYGLSGGSPDEAGCYRSAHRLYDWLVHDRGFAAKDIVVVGYSIGTGVATELAASREVGGLWLEAAYLSAPRVVTRVRLLPMDPFPNCERIKDVKCPIVMLHGTADSIIPYSHGRKLYDLAPKPKWFIPVDGAGHADFIDRMGRSRYEELLLSFARGGRLDLDREVKVEYEAPWKIDVS