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-8f2d257645c8

Human gut 224 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.79843-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-79843-length-3024-cov-2.018324_3

Retrieval

E-value5.20e-07
Bitscore16.7
Identity to nearest0.297
Nearest characterisedEC:A0ABQ2QK59

Structure

Methodesmfold
Mean pLDDT94.3
RMSD to IsPETase9.18 Å
Aligned fraction0.185

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

Active site

TriadS108/D156/H188
Ser–His3.21 Å
His–Asp3.12 Å
Cleft width23.1 Å
Cleft depth4.61 Å

Aromatic clamp: PHE112, PHE161, PHE194, TRP115, TRP77, TYR163, TYR196, TYR33, TYR48

Structure, superposed on IsPETase

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

Sequence

MNFKDCVYKKDDFSMNYKVFYNENNDNLPLIVYLHGAGERGENISHLYRHGIPKLINEGREIPAVVLAPQCPALCVWDNIVDRVKALIDTIVKEYNIKNDRICITGSSMGGFGTWSMGLTYPSFFAGIAPVAGGGMSWRCAKLAKTPVFAVHGGADDVVPFTYSKLMADAVNANGGNARLLKLDGLGHNDGIDFAYRNTEIIDWLLNMRRNNFDYVPEICEEMF