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-06c2ae224565

Human gut 196 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.8422-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-8422-length-20905-cov-16.957173_1

Retrieval

E-value5.00e-11
Bitscore29.9
Identity to nearest0.297
Nearest characterisedEC:A0ABT4UC71

Structure

Methodesmfold
Mean pLDDT93.4
RMSD to IsPETase10.73 Å
Aligned fraction0.185

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

Active site

TriadS93/D143/H175
Ser–His2.83 Å
His–Asp3.17 Å
Cleft width16.92 Å
Cleft depth4.45 Å

Aromatic clamp: PHE138, PHE34, TRP100, TRP62, TYR14

Structure, superposed on IsPETase

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

Sequence

TPANAQPDMPLIVYLHGGHGKGSDLSVLTTTDGFPQYLADGLLGEVPAYVLIPQLSEDQRGWKPASETVMRLIDKVCEENRIDRSRVSLTGHSMGGTGTWDLALLYPDAFSRIAPMSGSVDTTASTLAAFQNTPVWAFVGEDDVVVKPESSEQFVAMLEQQNPDAKITVFPETDHVGVPQKAWLEHGGELLNWLLG