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PETase ANnotation and Triage System

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

PANTS-c7c045f569ed

Human gut 255 aa · assembly ERZ24772302_FASTA_predicted_cds · contig ERZ24772302.1177-NODE-1177-length-31386-cov-30.767802_3

Retrieval

E-value1.20e-11
Bitscore32.0
Identity to nearest0.293
Nearest characterisedEC:A0ABQ2QK59

Structure

Methodesmfold
Mean pLDDT90.7
RMSD to IsPETase10.97 Å
Aligned fraction0.189

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

Active site

TriadS154/D202/H234
Ser–His2.94 Å
His–Asp2.98 Å
Cleft width22.27 Å
Cleft depth3.31 Å

Aromatic clamp: PHE113, PHE197, PHE229, PHE241, PHE57, TRP103, TRP237, TYR102, TYR105, TYR161

Structure, superposed on IsPETase

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

Sequence

MKQWSILLVFLSLSLSLSAQQGYEKDVFVSSTGDSLPYRMIRPEPMKAGKKYPLVLFLHGAGERGNDNERQLTHGGQMFLNPVNREKYPAFVLVPQCPAGSYWAYTERPKSLFPADMPAGQEMSSLIRTLKQLLDTYLVMPEVDKKRIYIVGLSMGAMGTYDLVVRYPEIFAAAVPICGSVNPDRLPAAKEVKFRIFHGDADDVVTVEGSREAYKALKAAGAKVEYIEFPGCNHGSWNPAFNYPGFMEWLFKQKK