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PETase ANnotation and Triage System

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

PANTS-a434808ce88d

Compost 216 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.87638-NODE-87638-length-812-cov-2.088507_1

Retrieval

E-value3.50e-09
Bitscore23.8
Identity to nearest0.353
Nearest characterisedEC:A0ABP6BRL7

Structure

Methodesmfold
Mean pLDDT82.8
RMSD to IsPETase14.29 Å
Aligned fraction0.189

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

Active site

TriadS89/D136/H168
Ser–His2.92 Å
His–Asp3.38 Å
Cleft width21.75 Å
Cleft depth3.45 Å

Aromatic clamp: PHE31, TRP113, TRP177, TRP21, TRP56, TYR147, TYR25

Structure, superposed on IsPETase

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

Sequence

RGVALVLHGGAEHGTDPVRPWRGAYLRMVPFARALAATYGRCGVDVYLLRNRVRGWNGPAQDPVVDARRALDRIRRERPGVPVTLTGHSMGGRVALRVADDAAVRAVCALAPWTPHDDPVEPVRGRRVLVAHGTDDERTSPEASRAYAERAAAVAEHAAWVGLSGERHAMVRRPGLWRRLVLDTTARGLDLPAGPRVADLGPQRCEPGPTCLSITM