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-984ffcfbe01d

Human gut 279 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.30193-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-30193-length-4891-cov-31.629830_2

Retrieval

E-value8.80e-07
Bitscore15.9
Identity to nearest0.336
Nearest characterisedEC:A0A3D9SRX0

Structure

Methodesmfold
Mean pLDDT87.8
RMSD to IsPETase11.64 Å
Aligned fraction0.185

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

Active site

TriadS128/D176/H210
Ser–His3.06 Å
His–Asp2.83 Å
Cleft width20.38 Å
Cleft depth3.84 Å

Aromatic clamp: PHE217, PHE56, TRP99, TYR132, TYR279, TYR73

Structure, superposed on IsPETase

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

Sequence

MKKILLSILLTLMVCKVSAYDFLRAVKDELPGGYNFWVYTPVDYFYSQEQTPVIIFLHGASLCGKNLDRVRRYGPLDAIVKGRAIDALTIVPQNPGGAWSPKKIMDMLDWVKKNYPCDSTRVYVLGMSLGGYGTMDVCATYPDRIAAGMALCGGCSLKDVSGLGDLPFWIIHGTADRAVPIKKSKVVVEQLKQESKDSRLIYDWWKGANHGTPARVFYLKKTYEWLFSHSLRDKNRPVNKNINISMSDLRKAYGDMTKNAAQPELIDGLSIINAESNEY