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PETase ANnotation and Triage System

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

PANTS-537549659b1d

Human gut 267 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.2447-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-2447-length-34485-cov-12.572396_21

Retrieval

E-value2.10e-09
Bitscore24.5
Identity to nearest0.300
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT89.3
RMSD to IsPETase12.35 Å
Aligned fraction0.215

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

Active site

TriadS129/D177/H211
Ser–His3.06 Å
His–Asp2.86 Å
Cleft width16.44 Å
Cleft depth3.88 Å

Aromatic clamp: PHE133, PHE138, PHE218, PHE57, TRP100, TYR126, TYR267, TYR74

Structure, superposed on IsPETase

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

Sequence

MKNKTALVLIALLVAFQCSYSQKFSAHVGEAGTSYNFWFYNPESGVSKDSHFPLLIFLHGQSLCGGNLDKVKRYGAIDAVARGRYIDSYIVAPQNPGGAWSPQKIMSIVEWAQRNYNVDTTRIYVYGMSLGGFGTIDFAATYPEKVACAMAICGGATVADLSGLAKVPLWIVHGTADRAVPVSSSDRVVAAIRAAGGDSRLIYTRLKGVDHGRPARIFYMLQTYDWMFSHSILDKDREVNREFEITNEMLSKAYQDLGKNIPIDEDY