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-1da6b1efb781

Human gut 259 aa · assembly ERZ24812776_FASTA_predicted_cds · contig ERZ24812776.9177-NODE-9177-length-2413-cov-50.807040_3

Retrieval

E-value1.60e-13
Bitscore38.0
Identity to nearest0.296
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT93.2
RMSD to IsPETase13.61 Å
Aligned fraction0.208

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

Active site

TriadS157/D205/H237
Ser–His2.98 Å
His–Asp3.1 Å
Cleft width21.14 Å
Cleft depth3.52 Å

Aromatic clamp: PHE115, PHE164, PHE232, PHE244, PHE60, TRP106, TRP240, TYR105, TYR108, TYR200

Structure, superposed on IsPETase

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

Sequence

MKNTVCTALMLLMSVCMYAQELYGEYEKKVYVSSQGDSLKYRLLRPEAEKAGKKYPLVLFLHGAGERGDDNQKQLVHGGQMWLNPVNREEYPAFVLAPQCPKEDYWAYVGRPKSFVPGEMPEVQEPTRIFRTLKELLDTYLAMPQVDKDRIYVMGLSMGGMGTFDLAIRYPEVFAAAVPICGIVNPARLSAAKDVKFRIYHGDADNIVPVEGSRQAYKALKAAGADVEYIEFPGVNHGSWTPAFNDSEFMGWLFNQKKK