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-0e188a1aef04

Human gut 290 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.193627-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-193627-length-1040-cov-6.527518_1

Retrieval

E-value7.90e-14
Bitscore39.1
Identity to nearest0.272
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT88.7
RMSD to IsPETase13.58 Å
Aligned fraction0.204

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

Active site

TriadS187/D237/H269
Ser–His2.91 Å
His–Asp3.16 Å
Cleft width17.67 Å
Cleft depth4.48 Å

Aromatic clamp: PHE128, PHE232, PHE270, TRP156, TRP194, TYR108

Structure, superposed on IsPETase

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

Sequence

MRNKLYARTVLWLAAVLAAISLSGCHGEMKAPLSDGNGAAQTAAPSAEITAEETAASETPEPRTPEPTESVIPAAFTACSVRTSRFETFRYWLYTPSNPAENMPLIVYLHGGSGKGDDLEQITAVDGFPQYLRDGKLGDVRAYVLIPQLPDTEKGWLNAARAVSELIETTVSTYALDRNNVSLTGHSMGGTGTWALACASPELFARIAPLSGSVRNTADTAEKLKNVPVRAFVGAADTIVPPDSSEETVAALKAAGDDAEITVFTGADHFSVPSLTFLDESIGLVDWLIR