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-52726c2cf362

Human gut 290 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.26023-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-26023-length-8175-cov-3.918375_7

Retrieval

E-value1.70e-09
Bitscore24.8
Identity to nearest0.290
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT89.6
RMSD to IsPETase22.57 Å
Aligned fraction0.204

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

Active site

TriadS184/D234/H266
Ser–His2.88 Å
His–Asp3.15 Å
Cleft width17.61 Å
Cleft depth4.41 Å

Aromatic clamp: PHE125, PHE229, PHE267, TRP153, TRP191, TYR105

Structure, superposed on IsPETase

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

Sequence

MKRTIAILLAVLMTATVITVFSGCGSGQTPNTEESTPKQRTEEITENTEIPETSEESTEDTKPEDKPAAASSFRACSIKTNSLGELKYWLYTPSDPTENMPLIVYLHGGSGKGDDLELITAVDGFPKYLRDGQLGDVRAYVIIPQLPSSQKGWANGAAAVYELIQVTVSKFGIYEENISLTGHSMGGTGTWNLALSYPTLFARIAPLSGSVRVQPEYIEKLKNIPVWAFVGSADTIVPPDSSMEFVAALKEAGGNAGITIFGDADHFTVPSLTYLDKDIDLISWLTDKAD