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-7a33851266f6

Human gut 260 aa · assembly ERZ4560756_FASTA_predicted_cds · contig ERZ4560756.42152-Hadza-MoBio-hadza-E-H-G-1-1731--NODE-42152-length-2941-cov-3.274441_1

Retrieval

E-value1.10e-08
Bitscore22.1
Identity to nearest0.255
Nearest characterisedEC:A0ABQ2QK59

Structure

Methodesmfold
Mean pLDDT94.5
RMSD to IsPETase13.74 Å
Aligned fraction0.200

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

Active site

TriadS156/D206/H238
Ser–His2.89 Å
His–Asp3.14 Å
Cleft width17.53 Å
Cleft depth4.34 Å

Aromatic clamp: PHE201, PHE239, PHE97, TRP125, TRP163, TYR77

Structure, superposed on IsPETase

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

Sequence

GSVAGTEKSTVTSNQTKPPATSANANPSTAPQTETPPKEHTPASFTACSINTSQLGTFRYWLYTPSDPTENMPLIVYLHGGSGKGDDLNLITAVDGFPQYLQSGQLGDMRAYVVIPQLPSTQKGWVNAAESISELIDHTVSTYKINRNNISLTGHSKGGTGTWNLACTYPSLFARIAPLSGSIRNTPDIIDNLKNIPVRAFVGSADTIVPPDSSKEVIAALKAAGGSAEITVFDGADHFSVPSLTFLDTNIDLIGWLIGG