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-df47c122e34f

Human gut 302 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.3566-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-3566-length-26102-cov-10.118617_14

Retrieval

E-value1.10e-08
Bitscore22.2
Identity to nearest0.344
Nearest characterisedEC:A0ABN3KHS9

Structure

Methodesmfold
Mean pLDDT90.0
RMSD to IsPETase20.66 Å
Aligned fraction0.196

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

Active site

TriadS150/D198/H233
Ser–His2.96 Å
His–Asp3.14 Å
Cleft width17.86 Å
Cleft depth4.0 Å

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

Structure, superposed on IsPETase

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

Sequence

MKTVTLLRFIHRNTLFLLLLLMAPAVGLAQDVQLGEVSFLGLQRDFAGIELSYRKADITGSGTGQKALVIYLHGGSSCGSDNVSQMREPGIDSIAGYLHRHQVDAVMLVPQCPDRSRGWGGMAQNIKALLDFTVRTEDIDTMRIYVLGGSMGGTGTWKMLSTFPSYFAAAMPCAANPKGMSAQNAATTPVYNVMGLDDKIMNGQVRQIAEDFIAQMRALGGEAEYETVPGWTHETTCIQSYSEHRLGWLFAHSRSLPNGIEPVGAQATECDVPWYTLQGVRVERPLLPGIYVHNGKKTLVNP