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-7d013b473ace

Human gut 298 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.15437-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-15437-length-8446-cov-358.027124_5

Retrieval

E-value1.90e-10
Bitscore28.0
Identity to nearest0.319
Nearest characterisedEC:A0ABW1CC56

Structure

Methodesmfold
Mean pLDDT88.5
RMSD to IsPETase25.06 Å
Aligned fraction0.189

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

Active site

TriadS194/D244/H276
Ser–His2.89 Å
His–Asp3.12 Å
Cleft width17.5 Å
Cleft depth3.48 Å

Aromatic clamp: PHE135, PHE239, PHE277, TRP163, TRP201, TYR115

Structure, superposed on IsPETase

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

Sequence

MKQRFYASIALLLVAVLTAALLCGCHSKPENSSDETSSVGSVPTTESDSNSMPAITPDESSEDTTPNGTNGSVAGKEHTPASFTACSINTSQLGTFRYWLYTPSDPTENMPLIVYLHGGSGKGDDLNLITAVDGFPQYLQSGQLGDVRAYVVIPQLPSTQKGWVNAAESISELIDHTVSTYKINRNNISLTGHSMGGTGTWNLACTYPSLFARIAPLSGSIRNTPDIIDNLKNIPVRAFVGSADTIVPPDSSKEVIAALKAAGGSAEITVFDGADHFSVPSLTFLDTNIDLIGWLISG