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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-6eb128fdb77f

Human gut 281 aa · assembly ERZ4560756_FASTA_predicted_cds · contig ERZ4560756.1158-Hadza-MoBio-hadza-E-H-G-1-1731--NODE-1158-length-48060-cov-56.050080_32

Retrieval

E-value1.30e-09
Bitscore25.2
Identity to nearest0.233
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT85.4
RMSD to IsPETase15.04 Å
Aligned fraction0.215

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

Active site

TriadS168/D225/H258
Ser–His3.1 Å
His–Asp2.92 Å
Cleft width21.54 Å
Cleft depth2.39 Å

Aromatic clamp: PHE104, PHE106, PHE122, PHE220, PHE260, TRP109, TRP121, TYR133, TYR192, TYR76, TYR84

Structure, superposed on IsPETase

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

Sequence

MKKWMKAVLIGAGAFAVIAGIAAIVCVGHYVGFPEPAGEEKTGYRTEKLCVEYDGISLYGKALIPDGDGPFPTVVYAHGAESDYKADMTTLKSLAMSGVACYTFDFYGWTDRSTGPQGVHWFHDVPRGVDDSYEKKVLQQVEDLNAVIEAAKGWGFVDTSRLYLVGSSMGGATVATAAVTHSDDIRAIVLEYPAINLNPDAMVSGAPLDVNGYTGPVLIFQGTKDVIVPMEMSQNLATHYNTLRDDHAELVIYEGQPHVFTGKYKVPAAKEIYRFLEETAS