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-f610e60c9781

Human gut 133 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.113933-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-113933-length-2170-cov-3.600096_4

Retrieval

E-value1.40e-10
Bitscore28.4
Identity to nearest0.316
Nearest characterisedEC:A0ABP6DBE2

Structure

Methodesmfold
Mean pLDDT93.5
RMSD to IsPETase17.39 Å
Aligned fraction0.132

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

Active site

TriadS30/D80/H112
Ser–His3.1 Å
His–Asp3.33 Å
Cleft width17.37 Å
Cleft depth7.06 Å

Aromatic clamp: PHE113, PHE75, TRP37, TYR120

Structure, superposed on IsPETase

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

Sequence

DMDDTLMDVIQALVREYDIDTANISLTGHSMGGTGAWAIAAAHPGYFARVAPLSGSIRNTPENLQAFANTRVYAFVGTGDTIVKPQATREFVSALMEAGYDAKLTELPETDHFGVPSQAYLGDYGLVDWLEGK