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-b7a075e773c7

Human gut 302 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.1569-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-1569-length-41776-cov-4.946474_24

Retrieval

E-value3.20e-08
Bitscore20.7
Identity to nearest0.309
Nearest characterisedEC:A0ABN3KHS9

Structure

Methodesmfold
Mean pLDDT89.9
RMSD to IsPETase16.08 Å
Aligned fraction0.208

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

Active site

TriadS150/D198/H233
Ser–His2.97 Å
His–Asp3.13 Å
Cleft width17.86 Å
Cleft depth4.01 Å

Aromatic clamp: TRP119, TRP157, TRP231, TYR241, TYR71

Structure, superposed on IsPETase

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

Sequence

MKTVTLLRFIHRNTLFLLLLLMAPAVGLAQDVQLGEVSFLGLQRDFAGIELSYRKADITGSGTGQKALVIYLHGGSSCGSDNVLQMREPGIDSIAGYLHRHQVDAVMLVPQCPDRSRGWGGMAQNIKALLDFTVRTEDIDTMRIYVLGGSMGGTGTWKMLSTFPGYFAAAMPCAANPKGMSAQNAATTPVYNVMGLDDKIMNGQVRQIAEDFIAQMRALGGEAEYETVPGWTHETTCIQSYSDHRLGWLFAHSRSLPNGIEPAGAQVTECDGQWYTLQGVRVECPLLPGIYVRNGKKTLVNP