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-cb34dab9451e

Human gut 414 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.57862-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-57862-length-3109-cov-22.905343_1

Retrieval

E-value6.10e-12
Bitscore32.9
Identity to nearest0.270
Nearest characterisedEC:A0A6I4WH26

Structure

Methodesmfold
Mean pLDDT89.6
RMSD to IsPETase22.44 Å
Aligned fraction0.223

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

Active site

TriadS311/D361/H393
Ser–His2.85 Å
His–Asp3.11 Å
Cleft width16.02 Å
Cleft depth4.43 Å

Aromatic clamp: PHE252, PHE356, TRP280, TRP318, TRP401, TYR232

Structure, superposed on IsPETase

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

Sequence

MKRTLNKILAMLLAAILLAAPVCAAQTGYTDVPENAWYEEAIRTVTEQGWMNGTGSGKFSPNATLTRAMLATVLWRMENCPAAAATGNFTDTVRGSWYDGGVSWCVAEGIFQGFPDGSFRPNDAITREQLALVFYRYADAKPTGAAAKVSVKNGCSWALDACAWANAEGLFTDALGTLDLCAPASRAEIAYWLAHFDVGTSASSLTEGSFEGLGYLLYTPENASKNLPLLVYLHGGHGKGSDLSVLTTTDGFPQYLADGLLGEVPAYVLIPQLPASEKGWLSSADTVMALIDTICEEKTIDRSRIALTGHSMGGTGTWDLALAYPDIFSRIAPMSGSIKTTSDTLKTLETMPIWAFVGEDDVVVKPESTEAFIESVSEQNSDARVTVFEATDHVGVLQKAWLENGKALLNWLLQ