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-e7a83a8f86c9

Human gut 419 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.2694-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-2694-length-32102-cov-83.447119_30

Retrieval

E-value2.50e-10
Bitscore27.6
Identity to nearest0.282
Nearest characterisedEC:A0ABT4UC71

Structure

Methodesmfold
Mean pLDDT91.2
RMSD to IsPETase25.13 Å
Aligned fraction0.268

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

Active site

TriadS316/D366/H398
Ser–His2.84 Å
His–Asp3.19 Å
Cleft width16.35 Å
Cleft depth4.53 Å

Aromatic clamp: PHE257, PHE361, TRP285, TRP323, TRP406, TYR237

Structure, superposed on IsPETase

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

Sequence

MKARLWPVLLAGLLLISALSLPASAAELPFSDVADSAWYYESVERVYEENWMNGTGNDRFSPDDSLTRAMLAVILWRIEGSQDASRTVTFTDTSANAWYADGLSWCAEKGLFAGYPNGSFGPDDAVTREQLAIVFFRYAEKTGAVPSGQVGHTTFKNGCPWAADACDWANEHGLFTDAIGTLDLCAPASRAEIAYLLDQYFPSEASPSALTENSFDSMGYLLYTPANAQPDMPLIVYLHGGHGKGSDLSVLTTTDGFPQYLADGLLGEVSAYVLIPQLSEDQQGWKPASESVMRLIDKVCEENRIDRSRVSLTGHSMGGTGTWDLALLYPDAFSRIAPMSGSVDTTASTLATLQNTPVWAFVGEDDVVVKPEPSEQFVAALERQNEDARITVFPETDHVGVPQKAWLEHGGELLNWLLG